BDBM50346810 CHEMBL268559

SMILES: COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1

InChI Key: InChIKey=RTCVAWRRHHSOCC-NYYWCZLTSA-N

Data: 1 KI  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 3 hits for monomerid = 50346810   

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))	BDBM50346810 (CHEMBL268559) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...				J Med Chem 59: 4152-70 (2016) BindingDB Entry DOI: 10.7270/Q2TX3H9R
					More data for this Ligand-Target Pair
Protein Disulfide-Isomerase (PDI) (Homo sapiens (Human))	BDBM50346810 (CHEMBL268559) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in enzyme-mediated bov...				J Med Chem 62: 3447-3474 (2019) Article DOI: 10.1021/acs.jmedchem.8b01951
					More data for this Ligand-Target Pair
Calmodulin (Homo sapiens (Human))	BDBM50346810 (CHEMBL268559) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair