Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136319' 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)) | 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)) | 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 | |
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