BDBM189741 US10213433, Compound 311::US9174982, 311

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN(C4CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=OKSVTEDPFSGGEN-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 = 189741   

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))	BDBM189741 (US10213433, Compound 311 | US9174982, 311) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN(C4CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62| Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)16-14-34(42(27-48)32-4-6-35(49)7-5-32)29-54-20-22-55(23-21-54)37-10-12-41(45(25-37)64-39-24-33-15-18-51-46(33)52-28-39)47(58)53-65(61,62)40-11-13-43(44(26-40)57(59)60)50-17-3-19-56(36-8-9-36)38-30-63-31-38/h4-7,10-13,15,18,24-26,28,36,38,50H,3,8-9,14,16-17,19-23,27,29-31H2,1-2H3,(H,51,52)(H,53,58)	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))	BDBM189741 (US10213433, Compound 311 | US9174982, 311) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN(C4CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:62| Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)16-14-34(42(27-48)32-4-6-35(49)7-5-32)29-54-20-22-55(23-21-54)37-10-12-41(45(25-37)64-39-24-33-15-18-51-46(33)52-28-39)47(58)53-65(61,62)40-11-13-43(44(26-40)57(59)60)50-17-3-19-56(36-8-9-36)38-30-63-31-38/h4-7,10-13,15,18,24-26,28,36,38,50H,3,8-9,14,16-17,19-23,27,29-31H2,1-2H3,(H,51,52)(H,53,58)	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