BDBM189456 US10213433, Compound 2::US9174982, 2

SMILES: [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=HTGMQMQNQOJMDP-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 = 189456   

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))	BDBM189456 (US10213433, Compound 2 | US9174982, 2) Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C44H45ClN8O7S/c45-34-8-6-31(7-9-34)38-5-2-1-4-33(38)30-51-18-20-52(21-19-51)35-10-12-39(42(27-35)60-36-26-32-14-16-47-43(32)48-29-36)44(54)49-61(57,58)37-11-13-40(41(28-37)53(55)56)46-15-3-17-50-22-24-59-25-23-50/h1-2,4-14,16,26-29,46H,3,15,17-25,30H2,(H,47,48)(H,49,54)	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))	BDBM189456 (US10213433, Compound 2 | US9174982, 2) Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C44H45ClN8O7S/c45-34-8-6-31(7-9-34)38-5-2-1-4-33(38)30-51-18-20-52(21-19-51)35-10-12-39(42(27-35)60-36-26-32-14-16-47-43(32)48-29-36)44(54)49-61(57,58)37-11-13-40(41(28-37)53(55)56)46-15-3-17-50-22-24-59-25-23-50/h1-2,4-14,16,26-29,46H,3,15,17-25,30H2,(H,47,48)(H,49,54)	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