BDBM50319699 2-(2-oxo-2-(2-(piperidin-1-yl)benzylamino)ethylthio)acetic acido::CHEMBL1085797

SMILES: OC(=O)CSCC(=O)NCc1ccccc1N1CCCCC1

InChI Key: InChIKey=ZIPPCUFMLYMACZ-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 = 50319699   

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))	BDBM50319699 (2-(2-oxo-2-(2-(piperidin-1-yl)benzylamino)ethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1ccccc1N1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c19-15(11-22-12-16(20)21)17-10-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-12H2,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.63E+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))	BDBM50319699 (2-(2-oxo-2-(2-(piperidin-1-yl)benzylamino)ethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1ccccc1N1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c19-15(11-22-12-16(20)21)17-10-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-12H2,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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))	BDBM50319699 (2-(2-oxo-2-(2-(piperidin-1-yl)benzylamino)ethylthi...) Show SMILES OC(=O)CSCC(=O)NCc1ccccc1N1CCCCC1 Show InChI InChI=1S/C16H22N2O3S/c19-15(11-22-12-16(20)21)17-10-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-12H2,(H,17,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+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