BDBM50319698 2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio)acetic acid::CHEMBL1086224

SMILES: OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1

InChI Key: InChIKey=MWAQQQBWXJNSMX-UHFFFAOYSA-N

Data: 3 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 = 50319698   

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
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50319698 (2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio...) Show SMILES OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C10H9ClFNO3S/c11-7-3-6(1-2-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+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
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50319698 (2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio...) Show SMILES OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C10H9ClFNO3S/c11-7-3-6(1-2-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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))	BDBM50319698 (2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio...) Show SMILES OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C10H9ClFNO3S/c11-7-3-6(1-2-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.32E+5	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