BDBM189556 US10213433, Compound 118::US9174982, 118

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=NVHUOFRURDDRQO-MGBGTMOVSA-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 = 189556   

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))	BDBM189556 (US10213433, Compound 118 | US9174982, 118) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)16-11-36(43(28-49)34-3-5-37(50)6-4-34)32-55-19-21-56(22-20-55)39-7-9-42(46(26-39)65-40-25-35-12-17-51-47(35)53-30-40)48(59)54-66(62,63)41-8-10-44(45(27-41)58(60)61)52-29-33-13-18-57(31-33)38-14-23-64-24-15-38/h3-10,12,17,25-27,30,33,38,52H,11,13-16,18-24,28-29,31-32H2,1-2H3,(H,51,53)(H,54,59)/t33-/m1/s1	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))	BDBM189556 (US10213433, Compound 118 | US9174982, 118) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)16-11-36(43(28-49)34-3-5-37(50)6-4-34)32-55-19-21-56(22-20-55)39-7-9-42(46(26-39)65-40-25-35-12-17-51-47(35)53-30-40)48(59)54-66(62,63)41-8-10-44(45(27-41)58(60)61)52-29-33-13-18-57(31-33)38-14-23-64-24-15-38/h3-10,12,17,25-27,30,33,38,52H,11,13-16,18-24,28-29,31-32H2,1-2H3,(H,51,53)(H,54,59)/t33-/m1/s1	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