BDBM50319700 2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthio)acetic acid::CHEMBL1085571::cid_2811714

SMILES: OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1

InChI Key: InChIKey=OFZXOMIGEAVZOG-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50319700   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50319700 (2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50319700 (2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...				Bioorg Med Chem Lett 20: 3675-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.095 BindingDB Entry DOI: 10.7270/Q2CV4HXG
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50319700 (2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...				Bioorg Med Chem Lett 20: 3675-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.095 BindingDB Entry DOI: 10.7270/Q2CV4HXG
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50319700 (2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins				Bioorg Med Chem Lett 20: 3675-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.095 BindingDB Entry DOI: 10.7270/Q2CV4HXG
					More data for this Ligand-Target Pair