Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomeric repeat-binding factor 2-interacting protein 1' and Ligand = 'BDBM50136338'   

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))	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