BDBM356742 US10213433, Compound 124::trans-N-({5-bromo-6-[(4-morpholin-4-ylcyclohexyl)oxy]pyridin-3-yl}sulfonyl)-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl methyl}piperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c(Br)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZFWJCUIRBMOOTE-REKUNCKWSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 356742   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM356742 (US10213433, Compound 124 | trans-N-({5-bromo-6-[(4...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c(Br)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:28.28,wD:31.35,c:61,(4.25,12.11,;3.48,10.78,;5.02,10.78,;3.48,9.24,;2.15,8.47,;.82,9.24,;-.52,8.47,;-.52,6.93,;-1.85,6.16,;-1.85,4.62,;-.52,3.85,;.82,4.62,;.82,6.16,;-.52,2.31,;-1.85,1.54,;-1.85,,;-.52,-.77,;-.52,-2.31,;-1.85,-3.08,;.82,-3.08,;.82,-4.62,;-.72,-4.62,;2.36,-4.62,;.82,-6.16,;-.52,-6.93,;-.52,-8.47,;.82,-9.24,;.82,-10.78,;-.52,-11.55,;-.52,-13.09,;-1.85,-13.86,;-3.19,-13.09,;-3.19,-11.55,;-1.85,-10.78,;-4.52,-13.86,;-5.85,-13.09,;-7.19,-13.86,;-7.19,-15.4,;-5.85,-16.17,;-4.52,-15.4,;2.15,-8.47,;3.48,-9.24,;2.15,-6.93,;.82,,;2.15,-.77,;3.48,,;3.48,1.54,;4.82,2.31,;6.15,1.54,;7.61,2.02,;8.52,.77,;7.61,-.48,;6.15,,;4.82,-.77,;.82,1.54,;.82,10.78,;2.15,11.55,;-.52,11.55,;-1.85,10.78,;-3.19,11.55,;-3.19,13.09,;-4.52,13.86,;-1.85,13.86,;-.52,13.09,)| Show InChI InChI=1S/C48H55BrClN7O6S/c1-48(2)15-13-34(42(28-48)32-3-5-35(50)6-4-32)31-55-17-19-56(20-18-55)37-9-12-41(44(26-37)62-39-25-33-14-16-51-45(33)52-29-39)46(58)54-64(59,60)40-27-43(49)47(53-30-40)63-38-10-7-36(8-11-38)57-21-23-61-24-22-57/h3-6,9,12,14,16,25-27,29-30,36,38H,7-8,10-11,13,15,17-24,28,31H2,1-2H3,(H,51,52)(H,54,58)/t36-,38-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.				US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6
					More data for this Ligand-Target Pair