BDBM189519 US9174982, 71

SMILES: [O-][N+](=O)c1cc(ccc1NC1CCC(CC1)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=KQHBVBJHHZFRTR-UHFFFAOYSA-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 = 189519   

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))	BDBM189519 (US9174982, 71) Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCC(CC1)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1 |t:55,(5.74,8.89,;4.2,8.89,;3.43,10.22,;3.43,7.55,;4.2,6.22,;3.43,4.89,;1.89,4.89,;1.12,6.22,;1.89,7.55,;1.12,8.89,;-.42,8.89,;-1.19,7.55,;-2.73,7.55,;-3.5,8.89,;-2.73,10.22,;-1.19,10.22,;-5.04,8.89,;-5.81,7.55,;-7.35,7.55,;-8.12,8.89,;-7.35,10.22,;-5.81,10.22,;4.2,3.55,;2.87,2.78,;5.53,4.32,;4.97,2.22,;4.2,.89,;2.66,.89,;4.97,-.45,;4.2,-1.78,;4.97,-3.12,;6.51,-3.12,;7.28,-1.78,;6.51,-.45,;7.28,.89,;8.82,.89,;9.59,2.22,;11.13,2.22,;11.9,.89,;13.41,.57,;13.57,-.97,;12.16,-1.59,;11.13,-.45,;9.59,-.45,;7.28,-4.45,;8.82,-4.45,;9.59,-5.78,;8.82,-7.12,;9.59,-8.45,;8.82,-9.78,;9.59,-11.12,;8.82,-12.45,;7.28,-12.45,;6.51,-11.12,;5.6,-12.36,;4.14,-11.89,;4.14,-10.35,;5.6,-9.87,;7.28,-9.78,;11.13,-11.12,;11.9,-9.78,;13.44,-9.78,;14.21,-11.12,;15.75,-11.12,;13.44,-12.45,;11.9,-12.45,;7.28,-7.12,;6.51,-5.78,)| Show InChI InChI=1S/C51H59ClN8O7S/c52-38-5-3-35(4-6-38)44-15-19-51(17-1-2-18-51)32-37(44)34-57-21-23-58(24-22-57)41-11-13-45(48(30-41)67-42-29-36-16-20-53-49(36)54-33-42)50(61)56-68(64,65)43-12-14-46(47(31-43)60(62)63)55-39-7-9-40(10-8-39)59-25-27-66-28-26-59/h3-6,11-14,16,20,29-31,33,39-40,55H,1-2,7-10,15,17-19,21-28,32,34H2,(H,53,54)(H,56,61)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0100	-15.0	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US9174982 (2015) BindingDB Entry DOI: 10.7270/Q2RB73D5
					More data for this Ligand-Target Pair