BDBM189458 US10213433, Compound 4::US9174982, 4

SMILES: CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=VWFUWKGATFWYJU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 189458   

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))	BDBM189458 (US10213433, Compound 4 | US9174982, 4) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-12-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-8-10-38(42(25-35)60-36-24-31-13-17-47-43(31)48-28-36)44(55)50-61(58,59)37-9-11-40(41(26-37)54(56)57)49-34-14-18-51(3)19-15-34/h4-11,13,17,24-26,28,34,49H,12,14-16,18-23,27,29H2,1-3H3,(H,47,48)(H,50,55)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189458 (US10213433, Compound 4 | US9174982, 4) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-12-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-8-10-38(42(25-35)60-36-24-31-13-17-47-43(31)48-28-36)44(55)50-61(58,59)37-9-11-40(41(26-37)54(56)57)49-34-14-18-51(3)19-15-34/h4-11,13,17,24-26,28,34,49H,12,14-16,18-23,27,29H2,1-3H3,(H,47,48)(H,50,55)	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