BDBM50387710 CHEMBL2058076

SMILES: CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1

InChI Key: InChIKey=ORPIJQUKJUZRPA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50387710   

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
Long-chain fatty acid transport protein 1 (Homo sapiens (Human))	BDBM50387710 (CHEMBL2058076) Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 Show InChI InChI=1S/C22H25N5O3S/c1-3-27-19(14-23-17-8-6-5-7-9-17)25-26-22(27)31-15-20(28)24-18-12-10-16(11-13-18)21(29)30-4-2/h5-13,23H,3-4,14-15H2,1-2H3,(H,24,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate				Bioorg Med Chem Lett 22: 5067-70 (2012) Article DOI: 10.1016/j.bmcl.2012.05.130 BindingDB Entry DOI: 10.7270/Q2VD70HW
					More data for this Ligand-Target Pair
Long-chain fatty acid transport protein 1 (Mus musculus)	BDBM50387710 (CHEMBL2058076) Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 Show InChI InChI=1S/C22H25N5O3S/c1-3-27-19(14-23-17-8-6-5-7-9-17)25-26-22(27)31-15-20(28)24-18-12-10-16(11-13-18)21(29)30-4-2/h5-13,23H,3-4,14-15H2,1-2H3,(H,24,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate				Bioorg Med Chem Lett 22: 5067-70 (2012) Article DOI: 10.1016/j.bmcl.2012.05.130 BindingDB Entry DOI: 10.7270/Q2VD70HW
					More data for this Ligand-Target Pair