BDBM50387697 CHEMBL2058343

SMILES: CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1

InChI Key: InChIKey=GSJNKCRTOMCTCE-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 = 50387697   

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))	BDBM50387697 (CHEMBL2058343) Show SMILES CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 Show InChI InChI=1S/C22H23N5O2S/c1-3-18(28)15-10-11-19-17(12-15)24-21(29-19)14-30-22-26-25-20(27(22)4-2)13-23-16-8-6-5-7-9-16/h5-12,23H,3-4,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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)	BDBM50387697 (CHEMBL2058343) Show SMILES CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 Show InChI InChI=1S/C22H23N5O2S/c1-3-18(28)15-10-11-19-17(12-15)24-21(29-19)14-30-22-26-25-20(27(22)4-2)13-23-16-8-6-5-7-9-16/h5-12,23H,3-4,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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