BDBM50429939 CHEMBL2334261::US10709688, Example 6

SMILES: OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1

InChI Key: InChIKey=SHAOOMDOURTRSR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50429939   

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))	BDBM50429939 (CHEMBL2334261 | US10709688, Example 6) Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University 1-1-1 Curated by ChEMBL					Assay Description Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay				Bioorg Med Chem Lett 23: 1662-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.054 BindingDB Entry DOI: 10.7270/Q29P330P
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50429939 (CHEMBL2334261 | US10709688, Example 6) Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University; National University Corporation Okayama University US Patent					Assay Description A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...				US Patent US10709688 (2020)
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50429939 (CHEMBL2334261 | US10709688, Example 6) Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University; National University Corporation Okayama University US Patent					Assay Description A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...				US Patent US10709688 (2020)
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50429939 (CHEMBL2334261 | US10709688, Example 6) Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University 1-1-1 Curated by ChEMBL					Assay Description Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay				Bioorg Med Chem Lett 23: 1662-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.054 BindingDB Entry DOI: 10.7270/Q29P330P
					More data for this Ligand-Target Pair