BDBM50424731 CHEMBL2314210

SMILES: OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12

InChI Key: InChIKey=RYPLJKONCYQJFW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50424731   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424731 (CHEMBL2314210) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424731 (CHEMBL2314210) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50424731 (CHEMBL2314210) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair