BDBM50387670 CHEMBL2058085

SMILES: CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=FYORWZLSSDRCRA-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 = 50387670   

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 (Mus musculus)	BDBM50387670 (CHEMBL2058085) Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN5OS/c1-2-25-17(12-21-15-6-4-3-5-7-15)23-24-19(25)27-13-18(26)22-16-10-8-14(20)9-11-16/h3-11,21H,2,12-13H2,1H3,(H,22,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Long-chain fatty acid transport protein 1 (Homo sapiens (Human))	BDBM50387670 (CHEMBL2058085) Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN5OS/c1-2-25-17(12-21-15-6-4-3-5-7-15)23-24-19(25)27-13-18(26)22-16-10-8-14(20)9-11-16/h3-11,21H,2,12-13H2,1H3,(H,22,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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