Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136315' 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)) | 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)) | 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 | |
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