Found 4 hits Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136305' 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)) | 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)) | 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)) | 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)) | 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 | |
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