BDBM189758 US10213433, Compound 328::US9174982, 328

SMILES: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CC3)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=RZBKSAZIPWCEIT-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 = 189758   

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))	BDBM189758 (US10213433, Compound 328 | US9174982, 328) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CC3)CC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H48ClN7O7S/c46-34-3-1-31(2-4-34)39-26-45(14-15-45)13-9-33(39)29-51-17-19-52(20-18-51)35-5-7-38(42(24-35)60-36-23-32-10-16-47-43(32)49-28-36)44(54)50-61(57,58)37-6-8-40(41(25-37)53(55)56)48-27-30-11-21-59-22-12-30/h1-8,10,16,23-25,28,30,48H,9,11-15,17-22,26-27,29H2,(H,47,49)(H,50,54)	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))	BDBM189758 (US10213433, Compound 328 | US9174982, 328) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CC3)CC2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H48ClN7O7S/c46-34-3-1-31(2-4-34)39-26-45(14-15-45)13-9-33(39)29-51-17-19-52(20-18-51)35-5-7-38(42(24-35)60-36-23-32-10-16-47-43(32)49-28-36)44(54)50-61(57,58)37-6-8-40(41(25-37)53(55)56)48-27-30-11-21-59-22-12-30/h1-8,10,16,23-25,28,30,48H,9,11-15,17-22,26-27,29H2,(H,47,49)(H,50,54)	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