Found 53 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136318
(CHEMBL3752561)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccccc1Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)37-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-54-43-108(107-106-54)34-22-19-29-56(74(118)91-47(5)72(116)98-63(39-52-23-13-12-14-24-52)81(125)96-58(76(120)100-65)28-18-21-33-88)94-75(119)57(27-17-20-32-87)95-79(123)62(38-46(3)4)101-83(127)69(49(7)111)104-78(122)60(31-36-131-11)97-77(121)59(30-35-130-10)93-67(114)42-90-73(117)64(40-53-25-15-16-26-55(53)86)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-16,23-26,43,45-50,56-66,68-70,109-112H,17-22,27-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63-,64?,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136317
(CHEMBL3752190)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C89H138N22O21S2/c1-48(2)39-65(84(127)106-70(47-112)75(92)118)102-86(129)69-44-59-46-111(110-109-59)36-22-19-29-60(78(121)94-50(5)76(119)101-68(42-55-23-13-12-14-24-55)85(128)99-62(80(123)103-69)28-18-21-35-91)97-79(122)61(27-17-20-34-90)98-83(126)66(40-49(3)4)104-87(130)73(52(7)114)107-82(125)64(33-38-134-11)100-81(124)63(32-37-133-10)96-71(117)45-93-77(120)67(43-56-30-31-57-25-15-16-26-58(57)41-56)105-88(131)74(53(8)115)108-89(132)72(51(6)113)95-54(9)116/h12-16,23-26,30-31,41,46,48-53,60-70,72-74,112-115H,17-22,27-29,32-40,42-45,47,90-91H2,1-11H3,(H2,92,118)(H,93,120)(H,94,121)(H,95,116)(H,96,117)(H,97,122)(H,98,126)(H,99,128)(H,100,124)(H,101,119)(H,102,129)(H,103,123)(H,104,130)(H,105,131)(H,106,127)(H,107,125)(H,108,132)/t50?,51-,52-,53-,60+,61+,62+,63+,64+,65+,66+,67?,68+,69-,70+,72+,73+,74+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136315
(CHEMBL3751889)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H136N22O21S2/c1-46(2)38-61(80(123)102-66(45-108)71(88)114)98-82(125)65-42-55-44-107(106-105-55)35-23-20-30-56(74(117)90-48(5)72(115)97-64(41-54-26-16-13-17-27-54)81(124)95-58(76(119)99-65)29-19-22-34-87)93-75(118)57(28-18-21-33-86)94-79(122)62(39-47(3)4)100-83(126)69(50(7)110)103-78(121)60(32-37-130-11)96-77(120)59(31-36-129-10)92-67(113)43-89-73(116)63(40-53-24-14-12-15-25-53)101-84(127)70(51(8)111)104-85(128)68(49(6)109)91-52(9)112/h12-17,24-27,44,46-51,56-66,68-70,108-111H,18-23,28-43,45,86-87H2,1-11H3,(H2,88,114)(H,89,116)(H,90,117)(H,91,112)(H,92,113)(H,93,118)(H,94,122)(H,95,124)(H,96,120)(H,97,115)(H,98,125)(H,99,119)(H,100,126)(H,101,127)(H,102,123)(H,103,121)(H,104,128)/t48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136319
(CHEMBL3752814)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1cccc(Cl)c1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)36-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-55-43-108(107-106-55)33-20-17-28-56(74(118)91-47(5)72(116)98-64(39-52-22-13-12-14-23-52)81(125)96-58(76(120)100-65)27-16-19-32-88)94-75(119)57(26-15-18-31-87)95-79(123)62(37-46(3)4)101-83(127)69(49(7)111)104-78(122)60(30-35-131-11)97-77(121)59(29-34-130-10)93-67(114)42-90-73(117)63(40-53-24-21-25-54(86)38-53)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-14,21-25,38,43,45-50,56-66,68-70,109-112H,15-20,26-37,39-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136320
(CHEMBL3752958)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)37-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-55-43-108(107-106-55)34-20-17-25-56(74(118)91-47(5)72(116)98-64(39-52-21-13-12-14-22-52)81(125)96-58(76(120)100-65)24-16-19-33-88)94-75(119)57(23-15-18-32-87)95-79(123)62(38-46(3)4)101-83(127)69(49(7)111)104-78(122)60(31-36-131-11)97-77(121)59(30-35-130-10)93-67(114)42-90-73(117)63(40-53-26-28-54(86)29-27-53)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-14,21-22,26-29,43,45-50,56-66,68-70,109-112H,15-20,23-25,30-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136311
(CHEMBL3752264)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H142N22O21S2/c1-46(2)38-61(80(123)102-66(45-108)71(88)114)98-82(125)65-42-55-44-107(106-105-55)35-23-20-30-56(74(117)90-48(5)72(115)97-64(41-54-26-16-13-17-27-54)81(124)95-58(76(119)99-65)29-19-22-34-87)93-75(118)57(28-18-21-33-86)94-79(122)62(39-47(3)4)100-83(126)69(50(7)110)103-78(121)60(32-37-130-11)96-77(120)59(31-36-129-10)92-67(113)43-89-73(116)63(40-53-24-14-12-15-25-53)101-84(127)70(51(8)111)104-85(128)68(49(6)109)91-52(9)112/h13,16-17,26-27,44,46-51,53,56-66,68-70,108-111H,12,14-15,18-25,28-43,45,86-87H2,1-11H3,(H2,88,114)(H,89,116)(H,90,117)(H,91,112)(H,92,113)(H,93,118)(H,94,122)(H,95,124)(H,96,120)(H,97,115)(H,98,125)(H,99,119)(H,100,126)(H,101,127)(H,102,123)(H,103,121)(H,104,128)/t48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136310
(CHEMBL3754578)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C83H140N22O21S2/c1-44(2)36-58(77(121)100-63(43-106)68(86)112)96-79(123)61-39-52-42-105(104-103-52)33-23-20-28-53(71(115)88-46(5)69(113)95-60(38-51-24-16-15-17-25-51)78(122)93-55(73(117)97-61)27-19-22-32-85)91-72(116)54(26-18-21-31-84)92-76(120)59(37-45(3)4)98-80(124)66(48(7)108)101-75(119)57(30-35-128-14)94-74(118)56(29-34-127-13)90-64(111)41-87-70(114)62(40-83(10,11)12)99-81(125)67(49(8)109)102-82(126)65(47(6)107)89-50(9)110/h15-17,24-25,42,44-49,53-63,65-67,106-109H,18-23,26-41,43,84-85H2,1-14H3,(H2,86,112)(H,87,114)(H,88,115)(H,89,110)(H,90,111)(H,91,116)(H,92,120)(H,93,122)(H,94,118)(H,95,113)(H,96,123)(H,97,117)(H,98,124)(H,99,125)(H,100,121)(H,101,119)(H,102,126)/t46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62?,63-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136316
(CHEMBL3752170)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C87H137N23O21S2/c1-46(2)37-63(82(126)105-68(45-111)73(90)117)101-84(128)67-41-55-44-110(109-108-55)34-22-19-29-58(76(120)93-48(5)74(118)100-65(39-53-23-13-12-14-24-53)83(127)98-60(78(122)102-67)28-18-21-33-89)96-77(121)59(27-17-20-32-88)97-81(125)64(38-47(3)4)103-85(129)71(50(7)113)106-80(124)62(31-36-133-11)99-79(123)61(30-35-132-10)95-69(116)43-92-75(119)66(40-54-42-91-57-26-16-15-25-56(54)57)104-86(130)72(51(8)114)107-87(131)70(49(6)112)94-52(9)115/h12-16,23-26,42,44,46-51,58-68,70-72,91,111-114H,17-22,27-41,43,45,88-89H2,1-11H3,(H2,90,117)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,121)(H,97,125)(H,98,127)(H,99,123)(H,100,118)(H,101,128)(H,102,122)(H,103,129)(H,104,130)(H,105,126)(H,106,124)(H,107,131)/t48-,49+,50+,51+,58-,59-,60-,61?,62-,63-,64-,65-,66?,67+,68-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136305
(CHEMBL3752828)Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C82H138N22O21S2/c1-14-45(6)64(99-82(125)67(49(10)108)101-81(124)65(47(8)106)88-50(11)109)79(122)86-40-63(110)89-56(29-34-126-12)73(116)93-57(30-35-127-13)74(117)100-66(48(9)107)80(123)97-59(37-44(4)5)75(118)91-54(26-18-21-31-83)71(114)90-53-28-20-23-33-104-41-52(102-103-104)39-61(78(121)95-58(36-43(2)3)76(119)98-62(42-105)68(85)111)96-72(115)55(27-19-22-32-84)92-77(120)60(38-51-24-16-15-17-25-51)94-69(112)46(7)87-70(53)113/h15-17,24-25,41,43-49,53-62,64-67,105-108H,14,18-23,26-40,42,83-84H2,1-13H3,(H2,85,111)(H,86,122)(H,87,113)(H,88,109)(H,89,110)(H,90,114)(H,91,118)(H,92,120)(H,93,116)(H,94,112)(H,95,121)(H,96,115)(H,97,123)(H,98,119)(H,99,125)(H,100,117)(H,101,124)/t45-,46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,64-,65-,66?,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136300
(CHEMBL3752803)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C80H140N20O21S2/c1-15-44(6)62(98-80(121)65(49(11)104)100-79(120)63(47(9)102)88-50(12)105)77(118)85-40-61(106)89-55(30-35-122-13)72(113)93-56(31-36-123-14)73(114)99-64(48(10)103)78(119)96-58(38-43(4)5)74(115)91-52(27-19-22-32-81)69(110)87-45(7)67(108)86-46(8)68(109)94-59(39-51-25-17-16-18-26-51)76(117)92-53(28-20-23-33-82)70(111)90-54(29-21-24-34-83)71(112)95-57(37-42(2)3)75(116)97-60(41-101)66(84)107/h16-18,25-26,42-49,52-60,62-65,101-104H,15,19-24,27-41,81-83H2,1-14H3,(H2,84,107)(H,85,118)(H,86,108)(H,87,110)(H,88,105)(H,89,106)(H,90,111)(H,91,115)(H,92,117)(H,93,113)(H,94,109)(H,95,112)(H,96,119)(H,97,116)(H,98,121)(H,99,114)(H,100,120)/t44-,45-,46-,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136313
(CHEMBL3752883)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-54(30-34-122-14)69(111)89-52(28-20-23-32-81)70(112)97-62(46(10)102)76(118)93-55(35-40(2)3)72(114)90-51(27-19-22-31-80)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)91-53(29-21-24-33-82)71(113)98-63(47(11)103)77(119)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,111)(H,90,114)(H,91,116)(H,92,109)(H,93,118)(H,94,119)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136314
(CHEMBL3752069)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H135N19O22S2/c1-16-41(6)59(94-78(119)63(47(12)102)97-77(118)60(44(9)99)85-48(13)103)74(115)82-37-58(104)86-52(28-32-120-14)68(109)89-53(29-33-121-15)70(111)96-62(46(11)101)76(117)91-54(34-39(2)3)71(112)87-50(26-20-22-30-79)67(108)84-42(7)65(106)83-43(8)66(107)90-56(36-49-24-18-17-19-25-49)73(114)88-51(27-21-23-31-80)69(110)95-61(45(10)100)75(116)92-55(35-40(4)5)72(113)93-57(38-98)64(81)105/h17-19,24-25,39-47,50-57,59-63,98-102H,16,20-23,26-38,79-80H2,1-15H3,(H2,81,105)(H,82,115)(H,83,106)(H,84,108)(H,85,103)(H,86,104)(H,87,112)(H,88,114)(H,89,109)(H,90,107)(H,91,117)(H,92,116)(H,93,113)(H,94,119)(H,95,110)(H,96,111)(H,97,118)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136309
(CHEMBL3754122)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C82H138N22O21S2/c1-15-26-53(71(114)98-59(39-44(3)4)77(120)100-62(43-105)68(85)111)92-72(115)55(29-20-23-34-83)95-78(121)61(41-52-27-18-17-19-28-52)97-69(112)47(8)89-70(113)54(31-22-25-36-88-104-86)93-73(116)56(30-21-24-35-84)94-76(119)60(40-45(5)6)99-80(123)66(49(10)107)102-75(118)58(33-38-127-14)96-74(117)57(32-37-126-13)91-63(110)42-87-79(122)64(46(7)16-2)101-82(125)67(50(11)108)103-81(124)65(48(9)106)90-51(12)109/h1,17-19,27-28,44-50,53-62,64-67,105-108H,16,20-26,29-43,83-84H2,2-14H3,(H2,85,111)(H,87,122)(H,89,113)(H,90,109)(H,91,110)(H,92,115)(H,93,116)(H,94,119)(H,95,121)(H,96,117)(H,97,112)(H,98,114)(H,99,123)(H,100,120)(H,101,125)(H,102,118)(H,103,124)/t46-,47-,48+,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136301
(CHEMBL3753586)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H142N20O22S2/c1-15-44(6)62(98-81(123)66(49(11)106)101-80(122)63(46(8)103)88-50(12)107)77(119)86-40-61(108)89-55(30-35-124-13)71(113)93-56(31-36-125-14)73(115)100-65(48(10)105)79(121)95-57(37-42(2)3)74(116)91-53(28-20-23-33-83)70(112)90-52(27-19-22-32-82)69(111)87-45(7)68(110)94-59(39-51-25-17-16-18-26-51)76(118)92-54(29-21-24-34-84)72(114)99-64(47(9)104)78(120)96-58(38-43(4)5)75(117)97-60(41-102)67(85)109/h16-18,25-26,42-49,52-60,62-66,102-106H,15,19-24,27-41,82-84H2,1-14H3,(H2,85,109)(H,86,119)(H,87,111)(H,88,107)(H,89,108)(H,90,112)(H,91,116)(H,92,118)(H,93,113)(H,94,110)(H,95,121)(H,96,120)(H,97,117)(H,98,123)(H,99,114)(H,100,115)(H,101,122)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136312
(CHEMBL3753717)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C76H133N19O20S/c1-15-41(6)58(92-76(115)62(47(12)99)95-75(114)59(44(9)96)84-48(13)100)72(111)81-38-57(101)85-53(30-34-116-14)67(106)86-51(28-20-23-32-78)68(107)94-61(46(11)98)74(113)91-55(36-40(4)5)70(109)87-50(27-19-22-31-77)66(105)83-42(7)64(103)82-43(8)65(104)90-56(37-49-25-17-16-18-26-49)71(110)88-52(29-21-24-33-79)69(108)93-60(45(10)97)73(112)89-54(63(80)102)35-39(2)3/h16-18,25-26,39-47,50-56,58-62,96-99H,15,19-24,27-38,77-79H2,1-14H3,(H2,80,102)(H,81,111)(H,82,103)(H,83,105)(H,84,100)(H,85,101)(H,86,106)(H,87,109)(H,88,110)(H,89,112)(H,90,104)(H,91,113)(H,92,115)(H,93,108)(H,94,107)(H,95,114)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136305
(CHEMBL3752828)Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C82H138N22O21S2/c1-14-45(6)64(99-82(125)67(49(10)108)101-81(124)65(47(8)106)88-50(11)109)79(122)86-40-63(110)89-56(29-34-126-12)73(116)93-57(30-35-127-13)74(117)100-66(48(9)107)80(123)97-59(37-44(4)5)75(118)91-54(26-18-21-31-83)71(114)90-53-28-20-23-33-104-41-52(102-103-104)39-61(78(121)95-58(36-43(2)3)76(119)98-62(42-105)68(85)111)96-72(115)55(27-19-22-32-84)92-77(120)60(38-51-24-16-15-17-25-51)94-69(112)46(7)87-70(53)113/h15-17,24-25,41,43-49,53-62,64-67,105-108H,14,18-23,26-40,42,83-84H2,1-13H3,(H2,85,111)(H,86,122)(H,87,113)(H,88,109)(H,89,110)(H,90,114)(H,91,118)(H,92,120)(H,93,116)(H,94,112)(H,95,121)(H,96,115)(H,97,123)(H,98,119)(H,99,125)(H,100,117)(H,101,124)/t45-,46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,64-,65-,66?,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136306
(CHEMBL3754019)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136307
(CHEMBL3754707)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136302
(CHEMBL3752348)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-51(27-19-22-31-80)69(111)91-54(30-34-122-14)71(113)98-63(47(11)103)77(119)93-55(35-40(2)3)72(114)89-52(28-20-23-32-81)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)90-53(29-21-24-33-82)70(112)97-62(46(10)102)76(118)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,114)(H,90,116)(H,91,111)(H,92,109)(H,93,119)(H,94,118)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136298
(CHEMBL3752820)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59+,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136338
(CHEMBL3754434)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC#C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C85H136N22O21S2/c1-13-26-56(75(118)101-62(41-47(2)3)81(124)104-66(46-108)71(88)114)95-76(119)58(31-20-23-36-86)98-82(125)65(44-55-29-18-15-19-30-55)100-72(115)49(6)92-74(117)57(33-22-25-38-91-107-89)96-77(120)59(32-21-24-37-87)97-80(123)63(42-48(4)5)102-83(126)69(51(8)110)105-79(122)61(35-40-130-12)99-78(121)60(34-39-129-11)94-67(113)45-90-73(116)64(43-54-27-16-14-17-28-54)103-84(127)70(52(9)111)106-85(128)68(50(7)109)93-53(10)112/h1,14-19,27-30,47-52,56-66,68-70,108-111H,20-26,31-46,86-87H2,2-12H3,(H2,88,114)(H,90,116)(H,92,117)(H,93,112)(H,94,113)(H,95,119)(H,96,120)(H,97,123)(H,98,125)(H,99,121)(H,100,115)(H,101,118)(H,102,126)(H,103,127)(H,104,124)(H,105,122)(H,106,128)/t49-,50+,51+,52+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136304
(CHEMBL3751917)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C72H126N18O18S/c1-14-40(6)56(88-72(108)57(43(9)91)80-46(12)94)69(105)77-37-55(95)81-51(29-33-109-13)64(100)82-49(27-19-22-31-74)65(101)90-59(45(11)93)71(107)87-53(35-39(4)5)67(103)83-48(26-18-21-30-73)63(99)79-41(7)61(97)78-42(8)62(98)86-54(36-47-24-16-15-17-25-47)68(104)84-50(28-20-23-32-75)66(102)89-58(44(10)92)70(106)85-52(60(76)96)34-38(2)3/h15-17,24-25,38-45,48-54,56-59,91-93H,14,18-23,26-37,73-75H2,1-13H3,(H2,76,96)(H,77,105)(H,78,97)(H,79,99)(H,80,94)(H,81,95)(H,82,100)(H,83,103)(H,84,104)(H,85,106)(H,86,98)(H,87,107)(H,88,108)(H,89,102)(H,90,101)/t40-,41-,42-,43+,44+,45+,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136303
(CHEMBL3752934)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C68H119N17O16S/c1-13-39(6)54(76-44(11)88)66(99)73-36-53(89)77-49(28-32-102-12)61(94)78-47(26-18-21-30-70)62(95)85-56(43(10)87)68(101)83-51(34-38(4)5)64(97)79-46(25-17-20-29-69)60(93)75-40(7)58(91)74-41(8)59(92)82-52(35-45-23-15-14-16-24-45)65(98)80-48(27-19-22-31-71)63(96)84-55(42(9)86)67(100)81-50(57(72)90)33-37(2)3/h14-16,23-24,37-43,46-52,54-56,86-87H,13,17-22,25-36,69-71H2,1-12H3,(H2,72,90)(H,73,99)(H,74,91)(H,75,93)(H,76,88)(H,77,89)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,92)(H,83,101)(H,84,96)(H,85,95)/t39-,40-,41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136299
(CHEMBL3752992)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC#C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/t44-,45-,46+,47+,48+,49+,52+,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136318
(CHEMBL3752561)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccccc1Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)37-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-54-43-108(107-106-54)34-22-19-29-56(74(118)91-47(5)72(116)98-63(39-52-23-13-12-14-24-52)81(125)96-58(76(120)100-65)28-18-21-33-88)94-75(119)57(27-17-20-32-87)95-79(123)62(38-46(3)4)101-83(127)69(49(7)111)104-78(122)60(31-36-131-11)97-77(121)59(30-35-130-10)93-67(114)42-90-73(117)64(40-53-25-15-16-26-55(53)86)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-16,23-26,43,45-50,56-66,68-70,109-112H,17-22,27-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63-,64?,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136317
(CHEMBL3752190)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C89H138N22O21S2/c1-48(2)39-65(84(127)106-70(47-112)75(92)118)102-86(129)69-44-59-46-111(110-109-59)36-22-19-29-60(78(121)94-50(5)76(119)101-68(42-55-23-13-12-14-24-55)85(128)99-62(80(123)103-69)28-18-21-35-91)97-79(122)61(27-17-20-34-90)98-83(126)66(40-49(3)4)104-87(130)73(52(7)114)107-82(125)64(33-38-134-11)100-81(124)63(32-37-133-10)96-71(117)45-93-77(120)67(43-56-30-31-57-25-15-16-26-58(57)41-56)105-88(131)74(53(8)115)108-89(132)72(51(6)113)95-54(9)116/h12-16,23-26,30-31,41,46,48-53,60-70,72-74,112-115H,17-22,27-29,32-40,42-45,47,90-91H2,1-11H3,(H2,92,118)(H,93,120)(H,94,121)(H,95,116)(H,96,117)(H,97,122)(H,98,126)(H,99,128)(H,100,124)(H,101,119)(H,102,129)(H,103,123)(H,104,130)(H,105,131)(H,106,127)(H,107,125)(H,108,132)/t50?,51-,52-,53-,60+,61+,62+,63+,64+,65+,66+,67?,68+,69-,70+,72+,73+,74+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136319
(CHEMBL3752814)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1cccc(Cl)c1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)36-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-55-43-108(107-106-55)33-20-17-28-56(74(118)91-47(5)72(116)98-64(39-52-22-13-12-14-23-52)81(125)96-58(76(120)100-65)27-16-19-32-88)94-75(119)57(26-15-18-31-87)95-79(123)62(37-46(3)4)101-83(127)69(49(7)111)104-78(122)60(30-35-131-11)97-77(121)59(29-34-130-10)93-67(114)42-90-73(117)63(40-53-24-21-25-54(86)38-53)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-14,21-25,38,43,45-50,56-66,68-70,109-112H,15-20,26-37,39-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136315
(CHEMBL3751889)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H136N22O21S2/c1-46(2)38-61(80(123)102-66(45-108)71(88)114)98-82(125)65-42-55-44-107(106-105-55)35-23-20-30-56(74(117)90-48(5)72(115)97-64(41-54-26-16-13-17-27-54)81(124)95-58(76(119)99-65)29-19-22-34-87)93-75(118)57(28-18-21-33-86)94-79(122)62(39-47(3)4)100-83(126)69(50(7)110)103-78(121)60(32-37-130-11)96-77(120)59(31-36-129-10)92-67(113)43-89-73(116)63(40-53-24-14-12-15-25-53)101-84(127)70(51(8)111)104-85(128)68(49(6)109)91-52(9)112/h12-17,24-27,44,46-51,56-66,68-70,108-111H,18-23,28-43,45,86-87H2,1-11H3,(H2,88,114)(H,89,116)(H,90,117)(H,91,112)(H,92,113)(H,93,118)(H,94,122)(H,95,124)(H,96,120)(H,97,115)(H,98,125)(H,99,119)(H,100,126)(H,101,127)(H,102,123)(H,103,121)(H,104,128)/t48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136320
(CHEMBL3752958)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H135ClN22O21S2/c1-45(2)37-61(80(124)103-66(44-109)71(89)115)99-82(126)65-41-55-43-108(107-106-55)34-20-17-25-56(74(118)91-47(5)72(116)98-64(39-52-21-13-12-14-22-52)81(125)96-58(76(120)100-65)24-16-19-33-88)94-75(119)57(23-15-18-32-87)95-79(123)62(38-46(3)4)101-83(127)69(49(7)111)104-78(122)60(31-36-131-11)97-77(121)59(30-35-130-10)93-67(114)42-90-73(117)63(40-53-26-28-54(86)29-27-53)102-84(128)70(50(8)112)105-85(129)68(48(6)110)92-51(9)113/h12-14,21-22,26-29,43,45-50,56-66,68-70,109-112H,15-20,23-25,30-42,44,87-88H2,1-11H3,(H2,89,115)(H,90,117)(H,91,118)(H,92,113)(H,93,114)(H,94,119)(H,95,123)(H,96,125)(H,97,121)(H,98,116)(H,99,126)(H,100,120)(H,101,127)(H,102,128)(H,103,124)(H,104,122)(H,105,129)/t47-,48+,49+,50+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136311
(CHEMBL3752264)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C85H142N22O21S2/c1-46(2)38-61(80(123)102-66(45-108)71(88)114)98-82(125)65-42-55-44-107(106-105-55)35-23-20-30-56(74(117)90-48(5)72(115)97-64(41-54-26-16-13-17-27-54)81(124)95-58(76(119)99-65)29-19-22-34-87)93-75(118)57(28-18-21-33-86)94-79(122)62(39-47(3)4)100-83(126)69(50(7)110)103-78(121)60(32-37-130-11)96-77(120)59(31-36-129-10)92-67(113)43-89-73(116)63(40-53-24-14-12-15-25-53)101-84(127)70(51(8)111)104-85(128)68(49(6)109)91-52(9)112/h13,16-17,26-27,44,46-51,53,56-66,68-70,108-111H,12,14-15,18-25,28-43,45,86-87H2,1-11H3,(H2,88,114)(H,89,116)(H,90,117)(H,91,112)(H,92,113)(H,93,118)(H,94,122)(H,95,124)(H,96,120)(H,97,115)(H,98,125)(H,99,119)(H,100,126)(H,101,127)(H,102,123)(H,103,121)(H,104,128)/t48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,66-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136310
(CHEMBL3754578)Show SMILES CSCC[C@H](NC(=O)CNC(=O)C(CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2 |r| Show InChI InChI=1S/C83H140N22O21S2/c1-44(2)36-58(77(121)100-63(43-106)68(86)112)96-79(123)61-39-52-42-105(104-103-52)33-23-20-28-53(71(115)88-46(5)69(113)95-60(38-51-24-16-15-17-25-51)78(122)93-55(73(117)97-61)27-19-22-32-85)91-72(116)54(26-18-21-31-84)92-76(120)59(37-45(3)4)98-80(124)66(48(7)108)101-75(119)57(30-35-128-14)94-74(118)56(29-34-127-13)90-64(111)41-87-70(114)62(40-83(10,11)12)99-81(125)67(49(8)109)102-82(126)65(47(6)107)89-50(9)110/h15-17,24-25,42,44-49,53-63,65-67,106-109H,18-23,26-41,43,84-85H2,1-14H3,(H2,86,112)(H,87,114)(H,88,115)(H,89,110)(H,90,111)(H,91,116)(H,92,120)(H,93,122)(H,94,118)(H,95,113)(H,96,123)(H,97,117)(H,98,124)(H,99,125)(H,100,121)(H,101,119)(H,102,126)/t46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62?,63-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136316
(CHEMBL3752170)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C87H137N23O21S2/c1-46(2)37-63(82(126)105-68(45-111)73(90)117)101-84(128)67-41-55-44-110(109-108-55)34-22-19-29-58(76(120)93-48(5)74(118)100-65(39-53-23-13-12-14-24-53)83(127)98-60(78(122)102-67)28-18-21-33-89)96-77(121)59(27-17-20-32-88)97-81(125)64(38-47(3)4)103-85(129)71(50(7)113)106-80(124)62(31-36-133-11)99-79(123)61(30-35-132-10)95-69(116)43-92-75(119)66(40-54-42-91-57-26-16-15-25-56(54)57)104-86(130)72(51(8)114)107-87(131)70(49(6)112)94-52(9)115/h12-16,23-26,42,44,46-51,58-68,70-72,91,111-114H,17-22,27-41,43,45,88-89H2,1-11H3,(H2,90,117)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,121)(H,97,125)(H,98,127)(H,99,123)(H,100,118)(H,101,128)(H,102,122)(H,103,129)(H,104,130)(H,105,126)(H,106,124)(H,107,131)/t48-,49+,50+,51+,58-,59-,60-,61?,62-,63-,64-,65-,66?,67+,68-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136305
(CHEMBL3752828)Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C82H138N22O21S2/c1-14-45(6)64(99-82(125)67(49(10)108)101-81(124)65(47(8)106)88-50(11)109)79(122)86-40-63(110)89-56(29-34-126-12)73(116)93-57(30-35-127-13)74(117)100-66(48(9)107)80(123)97-59(37-44(4)5)75(118)91-54(26-18-21-31-83)71(114)90-53-28-20-23-33-104-41-52(102-103-104)39-61(78(121)95-58(36-43(2)3)76(119)98-62(42-105)68(85)111)96-72(115)55(27-19-22-32-84)92-77(120)60(38-51-24-16-15-17-25-51)94-69(112)46(7)87-70(53)113/h15-17,24-25,41,43-49,53-62,64-67,105-108H,14,18-23,26-40,42,83-84H2,1-13H3,(H2,85,111)(H,86,122)(H,87,113)(H,88,109)(H,89,110)(H,90,114)(H,91,118)(H,92,120)(H,93,116)(H,94,112)(H,95,121)(H,96,115)(H,97,123)(H,98,119)(H,99,125)(H,100,117)(H,101,124)/t45-,46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,64-,65-,66?,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136300
(CHEMBL3752803)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C80H140N20O21S2/c1-15-44(6)62(98-80(121)65(49(11)104)100-79(120)63(47(9)102)88-50(12)105)77(118)85-40-61(106)89-55(30-35-122-13)72(113)93-56(31-36-123-14)73(114)99-64(48(10)103)78(119)96-58(38-43(4)5)74(115)91-52(27-19-22-32-81)69(110)87-45(7)67(108)86-46(8)68(109)94-59(39-51-25-17-16-18-26-51)76(117)92-53(28-20-23-33-82)70(111)90-54(29-21-24-34-83)71(112)95-57(37-42(2)3)75(116)97-60(41-101)66(84)107/h16-18,25-26,42-49,52-60,62-65,101-104H,15,19-24,27-41,81-83H2,1-14H3,(H2,84,107)(H,85,118)(H,86,108)(H,87,110)(H,88,105)(H,89,106)(H,90,111)(H,91,115)(H,92,117)(H,93,113)(H,94,109)(H,95,112)(H,96,119)(H,97,116)(H,98,121)(H,99,114)(H,100,120)/t44-,45-,46-,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136313
(CHEMBL3752883)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-54(30-34-122-14)69(111)89-52(28-20-23-32-81)70(112)97-62(46(10)102)76(118)93-55(35-40(2)3)72(114)90-51(27-19-22-31-80)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)91-53(29-21-24-33-82)71(113)98-63(47(11)103)77(119)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,111)(H,90,114)(H,91,116)(H,92,109)(H,93,118)(H,94,119)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136314
(CHEMBL3752069)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H135N19O22S2/c1-16-41(6)59(94-78(119)63(47(12)102)97-77(118)60(44(9)99)85-48(13)103)74(115)82-37-58(104)86-52(28-32-120-14)68(109)89-53(29-33-121-15)70(111)96-62(46(11)101)76(117)91-54(34-39(2)3)71(112)87-50(26-20-22-30-79)67(108)84-42(7)65(106)83-43(8)66(107)90-56(36-49-24-18-17-19-25-49)73(114)88-51(27-21-23-31-80)69(110)95-61(45(10)100)75(116)92-55(35-40(4)5)72(113)93-57(38-98)64(81)105/h17-19,24-25,39-47,50-57,59-63,98-102H,16,20-23,26-38,79-80H2,1-15H3,(H2,81,105)(H,82,115)(H,83,106)(H,84,108)(H,85,103)(H,86,104)(H,87,112)(H,88,114)(H,89,109)(H,90,107)(H,91,117)(H,92,116)(H,93,113)(H,94,119)(H,95,110)(H,96,111)(H,97,118)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136309
(CHEMBL3754122)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C82H138N22O21S2/c1-15-26-53(71(114)98-59(39-44(3)4)77(120)100-62(43-105)68(85)111)92-72(115)55(29-20-23-34-83)95-78(121)61(41-52-27-18-17-19-28-52)97-69(112)47(8)89-70(113)54(31-22-25-36-88-104-86)93-73(116)56(30-21-24-35-84)94-76(119)60(40-45(5)6)99-80(123)66(49(10)107)102-75(118)58(33-38-127-14)96-74(117)57(32-37-126-13)91-63(110)42-87-79(122)64(46(7)16-2)101-82(125)67(50(11)108)103-81(124)65(48(9)106)90-51(12)109/h1,17-19,27-28,44-50,53-62,64-67,105-108H,16,20-26,29-43,83-84H2,2-14H3,(H2,85,111)(H,87,122)(H,89,113)(H,90,109)(H,91,110)(H,92,115)(H,93,116)(H,94,119)(H,95,121)(H,96,117)(H,97,112)(H,98,114)(H,99,123)(H,100,120)(H,101,125)(H,102,118)(H,103,124)/t46-,47-,48+,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136301
(CHEMBL3753586)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H142N20O22S2/c1-15-44(6)62(98-81(123)66(49(11)106)101-80(122)63(46(8)103)88-50(12)107)77(119)86-40-61(108)89-55(30-35-124-13)71(113)93-56(31-36-125-14)73(115)100-65(48(10)105)79(121)95-57(37-42(2)3)74(116)91-53(28-20-23-33-83)70(112)90-52(27-19-22-32-82)69(111)87-45(7)68(110)94-59(39-51-25-17-16-18-26-51)76(118)92-54(29-21-24-34-84)72(114)99-64(47(9)104)78(120)96-58(38-43(4)5)75(117)97-60(41-102)67(85)109/h16-18,25-26,42-49,52-60,62-66,102-106H,15,19-24,27-41,82-84H2,1-14H3,(H2,85,109)(H,86,119)(H,87,111)(H,88,107)(H,89,108)(H,90,112)(H,91,116)(H,92,118)(H,93,113)(H,94,110)(H,95,121)(H,96,120)(H,97,117)(H,98,123)(H,99,114)(H,100,115)(H,101,122)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136308
(CHEMBL3754737)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC#C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C82H138N22O21S2/c1-15-26-53(71(114)98-59(39-44(3)4)77(120)100-62(43-105)68(85)111)92-72(115)55(29-20-23-34-83)95-78(121)61(41-52-27-18-17-19-28-52)97-69(112)47(8)89-70(113)54(31-22-25-36-88-104-86)93-73(116)56(30-21-24-35-84)94-76(119)60(40-45(5)6)99-80(123)66(49(10)107)102-75(118)58(33-38-127-14)96-74(117)57(32-37-126-13)91-63(110)42-87-79(122)64(46(7)16-2)101-82(125)67(50(11)108)103-81(124)65(48(9)106)90-51(12)109/h1,17-19,27-28,44-50,53-62,64-67,105-108H,16,20-26,29-43,83-84H2,2-14H3,(H2,85,111)(H,87,122)(H,89,113)(H,90,109)(H,91,110)(H,92,115)(H,93,116)(H,94,119)(H,95,121)(H,96,117)(H,97,112)(H,98,114)(H,99,123)(H,100,120)(H,101,125)(H,102,118)(H,103,124)/t46-,47-,48+,49+,50+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136312
(CHEMBL3753717)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C76H133N19O20S/c1-15-41(6)58(92-76(115)62(47(12)99)95-75(114)59(44(9)96)84-48(13)100)72(111)81-38-57(101)85-53(30-34-116-14)67(106)86-51(28-20-23-32-78)68(107)94-61(46(11)98)74(113)91-55(36-40(4)5)70(109)87-50(27-19-22-31-77)66(105)83-42(7)64(103)82-43(8)65(104)90-56(37-49-25-17-16-18-26-49)71(110)88-52(29-21-24-33-79)69(108)93-60(45(10)97)73(112)89-54(63(80)102)35-39(2)3/h16-18,25-26,39-47,50-56,58-62,96-99H,15,19-24,27-38,77-79H2,1-14H3,(H2,80,102)(H,81,111)(H,82,103)(H,83,105)(H,84,100)(H,85,101)(H,86,106)(H,87,109)(H,88,110)(H,89,112)(H,90,104)(H,91,113)(H,92,115)(H,93,108)(H,94,107)(H,95,114)/t41-,42-,43-,44+,45+,46+,47+,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136305
(CHEMBL3752828)Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C82H138N22O21S2/c1-14-45(6)64(99-82(125)67(49(10)108)101-81(124)65(47(8)106)88-50(11)109)79(122)86-40-63(110)89-56(29-34-126-12)73(116)93-57(30-35-127-13)74(117)100-66(48(9)107)80(123)97-59(37-44(4)5)75(118)91-54(26-18-21-31-83)71(114)90-53-28-20-23-33-104-41-52(102-103-104)39-61(78(121)95-58(36-43(2)3)76(119)98-62(42-105)68(85)111)96-72(115)55(27-19-22-32-84)92-77(120)60(38-51-24-16-15-17-25-51)94-69(112)46(7)87-70(53)113/h15-17,24-25,41,43-49,53-62,64-67,105-108H,14,18-23,26-40,42,83-84H2,1-13H3,(H2,85,111)(H,86,122)(H,87,113)(H,88,109)(H,89,110)(H,90,114)(H,91,118)(H,92,120)(H,93,116)(H,94,112)(H,95,121)(H,96,115)(H,97,123)(H,98,119)(H,99,125)(H,100,117)(H,101,124)/t45-,46-,47+,48+,49+,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,64-,65-,66?,67-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136306
(CHEMBL3754019)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136307
(CHEMBL3754707)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/t44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136298
(CHEMBL3752820)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCn2cc(C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)nn2)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C81H136N22O22S/c1-14-43(6)62(97-81(125)66(48(11)108)100-80(124)63(45(8)105)87-49(12)109)77(121)85-38-61(110)88-55(29-33-126-13)70(114)89-54-28-20-23-32-103-39-51(101-102-103)37-59(93-69(113)52(26-18-21-30-82)90-74(118)56(34-41(2)3)94-78(122)64(46(9)106)99-72(54)116)73(117)86-44(7)68(112)92-58(36-50-24-16-15-17-25-50)76(120)91-53(27-19-22-31-83)71(115)98-65(47(10)107)79(123)95-57(35-42(4)5)75(119)96-60(40-104)67(84)111/h15-17,24-25,39,41-48,52-60,62-66,104-108H,14,18-23,26-38,40,82-83H2,1-13H3,(H2,84,111)(H,85,121)(H,86,117)(H,87,109)(H,88,110)(H,89,114)(H,90,118)(H,91,120)(H,92,112)(H,93,113)(H,94,122)(H,95,123)(H,96,119)(H,97,125)(H,98,115)(H,99,116)(H,100,124)/t43-,44-,45+,46+,47+,48+,52-,53-,54-,55-,56-,57-,58-,59+,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136302
(CHEMBL3752348)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-51(27-19-22-31-80)69(111)91-54(30-34-122-14)71(113)98-63(47(11)103)77(119)93-55(35-40(2)3)72(114)89-52(28-20-23-32-81)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)90-53(29-21-24-33-82)70(112)97-62(46(10)102)76(118)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,114)(H,90,116)(H,91,111)(H,92,109)(H,93,119)(H,94,118)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136304
(CHEMBL3751917)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C72H126N18O18S/c1-14-40(6)56(88-72(108)57(43(9)91)80-46(12)94)69(105)77-37-55(95)81-51(29-33-109-13)64(100)82-49(27-19-22-31-74)65(101)90-59(45(11)93)71(107)87-53(35-39(4)5)67(103)83-48(26-18-21-30-73)63(99)79-41(7)61(97)78-42(8)62(98)86-54(36-47-24-16-15-17-25-47)68(104)84-50(28-20-23-32-75)66(102)89-58(44(10)92)70(106)85-52(60(76)96)34-38(2)3/h15-17,24-25,38-45,48-54,56-59,91-93H,14,18-23,26-37,73-75H2,1-13H3,(H2,76,96)(H,77,105)(H,78,97)(H,79,99)(H,80,94)(H,81,95)(H,82,100)(H,83,103)(H,84,104)(H,85,106)(H,86,98)(H,87,107)(H,88,108)(H,89,102)(H,90,101)/t40-,41-,42-,43+,44+,45+,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136299
(CHEMBL3752992)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC#C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C81H136N22O22S/c1-15-26-52(69(113)88-45(8)68(112)95-59(39-51-27-18-17-19-28-51)76(120)94-54(30-21-24-34-83)72(116)100-65(48(11)107)79(123)97-58(38-43(5)6)75(119)98-60(41-104)67(84)111)91-70(114)53(29-20-23-33-82)93-74(118)57(37-42(3)4)96-78(122)64(47(10)106)101-73(117)55(31-22-25-35-87-103-85)92-71(115)56(32-36-126-14)90-61(110)40-86-77(121)62(44(7)16-2)99-81(125)66(49(12)108)102-80(124)63(46(9)105)89-50(13)109/h1,17-19,27-28,42-49,52-60,62-66,104-108H,16,20-26,29-41,82-83H2,2-14H3,(H2,84,111)(H,86,121)(H,88,113)(H,89,109)(H,90,110)(H,91,114)(H,92,115)(H,93,118)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,119)(H,99,125)(H,100,116)(H,101,117)(H,102,124)/t44-,45-,46+,47+,48+,49+,52+,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136303
(CHEMBL3752934)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C68H119N17O16S/c1-13-39(6)54(76-44(11)88)66(99)73-36-53(89)77-49(28-32-102-12)61(94)78-47(26-18-21-30-70)62(95)85-56(43(10)87)68(101)83-51(34-38(4)5)64(97)79-46(25-17-20-29-69)60(93)75-40(7)58(91)74-41(8)59(92)82-52(35-45-23-15-14-16-24-45)65(98)80-48(27-19-22-31-71)63(96)84-55(42(9)86)67(100)81-50(57(72)90)33-37(2)3/h14-16,23-24,37-43,46-52,54-56,86-87H,13,17-22,25-36,69-71H2,1-12H3,(H2,72,90)(H,73,99)(H,74,91)(H,75,93)(H,76,88)(H,77,89)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,92)(H,83,101)(H,84,96)(H,85,95)/t39-,40-,41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136340
(CHEMBL3752470)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C70H122N18O19S/c1-13-37(4)53(85-70(107)57(43(10)92)88-69(106)55(41(8)90)78-44(11)93)67(104)75-35-52(94)79-49(28-32-108-12)62(99)80-48(27-19-22-31-73)64(101)87-56(42(9)91)68(105)84-50(33-36(2)3)65(102)81-46(25-17-20-29-71)61(98)77-38(5)59(96)76-39(6)60(97)83-51(34-45-23-15-14-16-24-45)66(103)82-47(26-18-21-30-72)63(100)86-54(40(7)89)58(74)95/h14-16,23-24,36-43,46-51,53-57,89-92H,13,17-22,25-35,71-73H2,1-12H3,(H2,74,95)(H,75,104)(H,76,96)(H,77,98)(H,78,93)(H,79,94)(H,80,99)(H,81,102)(H,82,103)(H,83,97)(H,84,105)(H,85,107)(H,86,100)(H,87,101)(H,88,106)/t37-,38-,39-,40+,41+,42+,43+,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-,57-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136330
(CHEMBL3753350)Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCCC(=O)NCCC(=O)NC(CCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O Show InChI InChI=1S/C111H167N23O31S2/c1-16-58(6)89(131-110(162)93(64(12)139)134-109(161)90(61(9)136)121-65(13)140)106(158)118-54-87(145)123-77(39-46-166-14)100(152)126-78(40-47-167-15)102(154)133-92(63(11)138)108(160)128-79(48-56(2)3)103(155)124-75(29-20-23-41-112)99(151)120-59(7)95(147)119-60(8)96(148)127-81(50-66-26-18-17-19-27-66)105(157)125-76(30-21-24-42-113)101(153)132-91(62(10)137)107(159)129-80(49-57(4)5)104(156)130-82(55-135)98(150)117-45-37-85(143)115-44-38-86(144)122-74(94(114)146)28-22-25-43-116-97(149)67-31-34-70(111(163)164)73(51-67)88-71-35-32-68(141)52-83(71)165-84-53-69(142)33-36-72(84)88/h17-19,26-27,31-36,51-53,56-64,74-82,89-93,135-139,141H,16,20-25,28-30,37-50,54-55,112-113H2,1-15H3,(H2,114,146)(H,115,143)(H,116,149)(H,117,150)(H,118,158)(H,119,147)(H,120,151)(H,121,140)(H,122,144)(H,123,145)(H,124,155)(H,125,157)(H,126,152)(H,127,148)(H,128,160)(H,129,159)(H,130,156)(H,131,162)(H,132,153)(H,133,154)(H,134,161)(H,163,164)/t58-,59-,60-,61+,62+,63+,64+,74?,75-,76-,77-,78-,79-,80-,81?,82-,89-,90-,91+,92-,93-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136331
(CHEMBL3752722)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CCNC(=O)CCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C110H154N24O28S2/c1-58(2)47-79(104(154)128-84(57-135)94(113)144)124-106(156)83-52-67-56-134(133-132-67)44-22-19-29-74(98(148)117-60(5)95(145)123-82(50-65-25-15-12-16-26-65)105(155)121-76(100(150)125-83)28-18-21-41-112)119-99(149)75(27-17-20-40-111)120-103(153)80(48-59(3)4)126-107(157)92(62(7)137)130-102(152)78(39-46-164-10)122-101(151)77(38-45-163-9)118-89(143)55-116-97(147)81(49-64-23-13-11-14-24-64)127-108(158)93(63(8)138)131-109(159)91(61(6)136)129-88(142)37-42-114-87(141)36-43-115-96(146)66-30-33-70(110(160)161)73(51-66)90-71-34-31-68(139)53-85(71)162-86-54-69(140)32-35-72(86)90/h11-16,23-26,30-35,51,53-54,56,58-63,74-84,91-93,135-139H,17-22,27-29,36-50,52,55,57,111-112H2,1-10H3,(H2,113,144)(H,114,141)(H,115,146)(H,116,147)(H,117,148)(H,118,143)(H,119,149)(H,120,153)(H,121,155)(H,122,151)(H,123,145)(H,124,156)(H,125,150)(H,126,157)(H,127,158)(H,128,154)(H,129,142)(H,130,152)(H,131,159)(H,160,161)/t60-,61?,62+,63+,74-,75-,76?,77-,78-,79-,80-,81-,82-,83+,84?,91?,92?,93-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136337
(CHEMBL3752164)Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCCC(=O)NCCC(=O)NC(CCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c3ccc(O)cc3oc3cc(=O)ccc13)C(N)=O)nn2 Show InChI InChI=1S/C118H168N26O30S2/c1-63(2)52-86(112(166)139-91(62-145)105(159)124-48-40-94(152)122-47-41-95(153)128-80(101(121)155)30-20-24-46-123-103(157)72-34-37-76(118(172)173)79(56-72)97-77-38-35-74(150)58-92(77)174-93-59-75(151)36-39-78(93)97)135-114(168)90-57-73-61-144(143-142-73)49-25-21-33-81(106(160)126-65(5)102(156)134-89(55-71-28-16-13-17-29-71)113(167)132-83(108(162)136-90)32-19-23-45-120)130-107(161)82(31-18-22-44-119)131-111(165)87(53-64(3)4)137-115(169)99(67(7)147)140-110(164)85(43-51-176-11)133-109(163)84(42-50-175-10)129-96(154)60-125-104(158)88(54-70-26-14-12-15-27-70)138-116(170)100(68(8)148)141-117(171)98(66(6)146)127-69(9)149/h12-17,26-29,34-39,56,58-59,61,63-68,80-91,98-100,145-148,150H,18-25,30-33,40-55,57,60,62,119-120H2,1-11H3,(H2,121,155)(H,122,152)(H,123,157)(H,124,159)(H,125,158)(H,126,160)(H,127,149)(H,128,153)(H,129,154)(H,130,161)(H,131,165)(H,132,167)(H,133,163)(H,134,156)(H,135,168)(H,136,162)(H,137,169)(H,138,170)(H,139,166)(H,140,164)(H,141,171)(H,172,173)/t65-,66+,67+,68+,80?,81?,82-,83-,84-,85-,86-,87-,88-,89-,90+,91?,98-,99-,100-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
Telomeric repeat-binding factor 2-interacting protein 1
(Homo sapiens (Human)) | BDBM50136326
(CHEMBL3752569)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCNC(=O)CCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.12,51.56,4.4,2.2,64.68,80.83,81.86,95.99,109.113,114.118,134.138,141.146,wD:8.8,54.59,87.91,72.76,104.108,125.130,135.141,149.154,(-17.05,24.05,;-15.98,24.66,;-14.65,23.89,;-14.66,22.66,;-13.32,24.65,;-11.98,23.88,;-11.98,22.34,;-13.05,21.73,;-10.65,21.57,;-10.65,20.03,;-9.32,19.26,;-8.25,19.87,;-9.32,17.72,;-7.99,16.95,;-7.99,15.41,;-9.06,14.79,;-6.66,14.63,;-6.66,13.09,;-5.33,12.32,;-5.33,10.78,;-6.39,10.17,;-3.99,10.01,;-3.99,8.47,;-2.66,7.7,;-2.66,6.16,;-3.73,5.54,;-1.33,5.39,;0,6.16,;1.34,5.39,;1.34,3.85,;2.67,3.08,;2.68,2.06,;3.74,3.7,;0,3.08,;-1.33,3.85,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-10.66,16.95,;-10.66,15.72,;-11.72,17.57,;-9.32,22.34,;-8.25,21.73,;-9.32,23.57,;-13.31,26.19,;-12.25,26.81,;-14.65,26.97,;-14.65,28.51,;-15.98,29.28,;-17.05,28.66,;-15.98,30.82,;-17.31,31.59,;-18.65,30.82,;-19.98,31.6,;-21.31,30.83,;-22.38,31.45,;-17.31,33.13,;-16.24,33.74,;-18.64,33.9,;-18.64,35.44,;-17.31,36.21,;-17.31,37.75,;-15.98,38.52,;-15.98,39.76,;-19.97,36.21,;-21.04,35.6,;-19.97,37.75,;-21.31,38.52,;-22.64,37.76,;-22.65,36.53,;-23.71,38.38,;-21.3,40.06,;-20.24,40.68,;-22.64,40.84,;-22.64,42.38,;-21.3,43.15,;-21.3,44.69,;-20.24,45.31,;-22.37,45.3,;-23.97,43.15,;-25.04,42.53,;-23.97,44.69,;-25.3,45.46,;-26.64,44.69,;-27.97,45.47,;-29.3,44.7,;-30.64,45.48,;-31.7,44.86,;-25.3,47,;-24.23,47.62,;-26.63,47.77,;-26.63,49.31,;-25.56,49.93,;-27.96,50.08,;-29.03,49.47,;-27.96,51.62,;-29.3,52.4,;-30.36,51.78,;-29.29,53.94,;-28.23,54.55,;-30.63,54.71,;-30.63,56.25,;-31.96,57.02,;-31.96,58.56,;-33.29,59.33,;-33.28,60.87,;-31.95,61.64,;-30.62,60.87,;-30.62,59.33,;-29.29,57.02,;-28.23,56.4,;-29.29,58.56,;-27.96,59.33,;-26.63,58.56,;-26.63,57.02,;-25.3,56.25,;-25.3,54.71,;-24.23,54.09,;-27.96,60.87,;-26.89,61.49,;-29.29,61.64,;-29.29,63.18,;-27.96,63.95,;-26.89,63.34,;-27.96,65.19,;-30.62,63.95,;-31.69,63.34,;-30.62,65.49,;-31.96,66.27,;-33.29,65.5,;-34.62,66.27,;-35.69,65.66,;-34.62,67.5,;-31.96,67.81,;-30.89,68.42,;-33.29,68.58,;-33.29,70.12,;-31.95,70.89,;-31.95,72.12,;-34.62,70.89,;-35.69,70.28,;-34.62,72.12,)| Show InChI InChI=1S/C103H153N21O29S2/c1-15-53(6)82(121-102(150)86(59(12)129)124-101(149)83(56(9)126)120-79(133)34-39-107-78(132)33-40-108-90(138)61-27-30-64(103(151)152)67(46-61)81-65-31-28-62(130)47-76(65)153-77-48-63(131)29-32-66(77)81)98(146)109-49-80(134)112-70(35-41-154-13)92(140)115-71(36-42-155-14)94(142)123-85(58(11)128)100(148)117-72(43-51(2)3)95(143)113-68(25-19-21-37-104)91(139)111-54(7)88(136)110-55(8)89(137)116-74(45-60-23-17-16-18-24-60)97(145)114-69(26-20-22-38-105)93(141)122-84(57(10)127)99(147)118-73(44-52(4)5)96(144)119-75(50-125)87(106)135/h16-18,23-24,27-32,46-48,51-59,68-75,82-86,125-130H,15,19-22,25-26,33-45,49-50,104-105H2,1-14H3,(H2,106,135)(H,107,132)(H,108,138)(H,109,146)(H,110,136)(H,111,139)(H,112,134)(H,113,143)(H,114,145)(H,115,140)(H,116,137)(H,117,148)(H,118,147)(H,119,144)(H,120,133)(H,121,150)(H,122,141)(H,123,142)(H,124,149)(H,151,152)/t53-,54-,55-,56+,57+,58+,59+,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-,84+,85-,86-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay |
J Med Chem 59: 328-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01465
BindingDB Entry DOI: 10.7270/Q2MP553D |
More data for this
Ligand-Target Pair | |
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