BDBM50387689 CHEMBL2058353

SMILES: CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C)ccc2o1

InChI Key: InChIKey=UEPGUFCINZEGNJ-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 = 50387689   

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))	BDBM50387689 (CHEMBL2058353) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C)ccc2o1 Show InChI InChI=1S/C20H21N5OS/c1-3-25-18(12-21-15-7-5-4-6-8-15)23-24-20(25)27-13-19-22-16-11-14(2)9-10-17(16)26-19/h4-11,21H,3,12-13H2,1-2H3	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
Long-chain fatty acid transport protein 1 (Mus musculus)	BDBM50387689 (CHEMBL2058353) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C)ccc2o1 Show InChI InChI=1S/C20H21N5OS/c1-3-25-18(12-21-15-7-5-4-6-8-15)23-24-20(25)27-13-19-22-16-11-14(2)9-10-17(16)26-19/h4-11,21H,3,12-13H2,1-2H3	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