BDBM50339782 CHEMBL1689144::N-(7-{4-[2-(4-Chloro-phenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}quinazolin-4-yl)-4-((R)-3-morpholin-4-yl-1-phenylsulfanylmethyl-propylamino)-3-nitro-benzenesulfonamide

SMILES: CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1

InChI Key: InChIKey=ARWJIYMQTWOIHU-DIPNUNPCSA-N

Data: 4 IC50

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 4 hits for monomerid = 50339782   

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
BCL-W (Homo sapiens (Human))	BDBM50339782 (CHEMBL1689144 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClN8O5S2/c1-47(2)18-16-41(34-8-10-36(48)11-9-34)35(30-47)31-54-20-22-55(23-21-54)38-12-14-42-44(28-38)49-33-50-46(42)52-63(59,60)40-13-15-43(45(29-40)56(57)58)51-37(17-19-53-24-26-61-27-25-53)32-62-39-6-4-3-5-7-39/h3-15,28-29,33,37,51H,16-27,30-32H2,1-2H3,(H,49,50,52)/t37-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50339782 (CHEMBL1689144 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClN8O5S2/c1-47(2)18-16-41(34-8-10-36(48)11-9-34)35(30-47)31-54-20-22-55(23-21-54)38-12-14-42-44(28-38)49-33-50-46(42)52-63(59,60)40-13-15-43(45(29-40)56(57)58)51-37(17-19-53-24-26-61-27-25-53)32-62-39-6-4-3-5-7-39/h3-15,28-29,33,37,51H,16-27,30-32H2,1-2H3,(H,49,50,52)/t37-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of wild type mBimBH3 from Mcl-1 by solution competition assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50339782 (CHEMBL1689144 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClN8O5S2/c1-47(2)18-16-41(34-8-10-36(48)11-9-34)35(30-47)31-54-20-22-55(23-21-54)38-12-14-42-44(28-38)49-33-50-46(42)52-63(59,60)40-13-15-43(45(29-40)56(57)58)51-37(17-19-53-24-26-61-27-25-53)32-62-39-6-4-3-5-7-39/h3-15,28-29,33,37,51H,16-27,30-32H2,1-2H3,(H,49,50,52)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of wild type mBimBH3 from human Bcl-2 by solution competition assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50339782 (CHEMBL1689144 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClN8O5S2/c1-47(2)18-16-41(34-8-10-36(48)11-9-34)35(30-47)31-54-20-22-55(23-21-54)38-12-14-42-44(28-38)49-33-50-46(42)52-63(59,60)40-13-15-43(45(29-40)56(57)58)51-37(17-19-53-24-26-61-27-25-53)32-62-39-6-4-3-5-7-39/h3-15,28-29,33,37,51H,16-27,30-32H2,1-2H3,(H,49,50,52)/t37-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair