BDBM50424735 CHEMBL2314193

SMILES: Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl

InChI Key: InChIKey=FQKXEZIKGBCCDX-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 = 50424735   

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))	BDBM50424735 (CHEMBL2314193) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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))	BDBM50424735 (CHEMBL2314193) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+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 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))	BDBM50424735 (CHEMBL2314193) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)	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	>1.50E+4	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