BDBM50384351 CHEMBL2031020

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MMGKZUBGJDEIFL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50384351   

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-2-like protein 1 (Homo sapiens (Human))	BDBM50384351 (CHEMBL2031020) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C45H45Cl3N6O6S/c1-4-6-20-51(21-7-5-2)45(58)41-40(48)28(3)54(49-41)39-16-13-31(25-35(39)44(57)52-22-18-29-10-8-9-11-33(29)27-52)42(55)50-61(59,60)34-14-17-38-30(24-34)19-23-53(38)43(56)32-12-15-36(46)37(47)26-32/h8-17,24-26H,4-7,18-23,27H2,1-3H3,(H,50,55)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis				Bioorg Med Chem Lett 22: 3946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.04.103 BindingDB Entry DOI: 10.7270/Q20866BM
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50384351 (CHEMBL2031020) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C45H45Cl3N6O6S/c1-4-6-20-51(21-7-5-2)45(58)41-40(48)28(3)54(49-41)39-16-13-31(25-35(39)44(57)52-22-18-29-10-8-9-11-33(29)27-52)42(55)50-61(59,60)34-14-17-38-30(24-34)19-23-53(38)43(56)32-12-15-36(46)37(47)26-32/h8-17,24-26H,4-7,18-23,27H2,1-3H3,(H,50,55)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay				Bioorg Med Chem Lett 22: 3946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.04.103 BindingDB Entry DOI: 10.7270/Q20866BM
					More data for this Ligand-Target Pair