BDBM50429942 CHEMBL2334257::US10709688, Example 5

SMILES: CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O

InChI Key: InChIKey=OCTLQLOJFBDCBL-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 = 50429942   

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))	BDBM50429942 (CHEMBL2334257 | US10709688, Example 5) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	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))	BDBM50429942 (CHEMBL2334257 | US10709688, Example 5) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.60E+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))	BDBM50429942 (CHEMBL2334257 | US10709688, Example 5) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)	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	790	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))	BDBM50429942 (CHEMBL2334257 | US10709688, Example 5) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)	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	787	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