BDBM50387702 CHEMBL2058339

SMILES: CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1

InChI Key: InChIKey=KECSFHUCLJADFZ-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 = 50387702   

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))	BDBM50387702 (CHEMBL2058339) Show SMILES CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1 Show InChI InChI=1S/C21H24N6O2S/c1-3-18(28)17-11-10-16(12-23-17)24-20(29)14-30-21-26-25-19(27(21)4-2)13-22-15-8-6-5-7-9-15/h5-12,22H,3-4,13-14H2,1-2H3,(H,24,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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)	BDBM50387702 (CHEMBL2058339) Show SMILES CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1 Show InChI InChI=1S/C21H24N6O2S/c1-3-18(28)17-11-10-16(12-23-17)24-20(29)14-30-21-26-25-19(27(21)4-2)13-22-15-8-6-5-7-9-15/h5-12,22H,3-4,13-14H2,1-2H3,(H,24,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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