BDBM189493 US10213433, Compound 45::US9174982, 45

SMILES: CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=VHGGVEJDMFXQIW-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 = 189493   

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))	BDBM189493 (US10213433, Compound 45 | US9174982, 45) Show SMILES CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C45H49ClF3N7O7S2/c1-44(2)25-38(29-4-6-32(46)7-5-29)31(28-62-44)27-55-18-20-56(21-19-55)34-8-10-37(40(23-34)63-35-22-30-12-15-50-42(30)51-26-35)43(57)53-65(60,61)36-9-11-39(52-33-13-16-54(3)17-14-33)41(24-36)64(58,59)45(47,48)49/h4-12,15,22-24,26,33,52H,13-14,16-21,25,27-28H2,1-3H3,(H,50,51)(H,53,57)	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))	BDBM189493 (US10213433, Compound 45 | US9174982, 45) Show SMILES CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C45H49ClF3N7O7S2/c1-44(2)25-38(29-4-6-32(46)7-5-29)31(28-62-44)27-55-18-20-56(21-19-55)34-8-10-37(40(23-34)63-35-22-30-12-15-50-42(30)51-26-35)43(57)53-65(60,61)36-9-11-39(52-33-13-16-54(3)17-14-33)41(24-36)64(58,59)45(47,48)49/h4-12,15,22-24,26,33,52H,13-14,16-21,25,27-28H2,1-3H3,(H,50,51)(H,53,57)	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