BDBM50387683 CHEMBL2058359

SMILES: CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1

InChI Key: InChIKey=VXTLJIRADXWIRX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50387683   

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)	BDBM50387683 (CHEMBL2058359) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 Show InChI InChI=1S/C20H18F3N5O2S/c1-2-28-17(11-24-13-6-4-3-5-7-13)26-27-19(28)31-12-18-25-15-10-14(30-20(21,22)23)8-9-16(15)29-18/h3-10,24H,2,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of mouse FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 2560-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.116 BindingDB Entry DOI: 10.7270/Q2H70H6K
					More data for this Ligand-Target Pair
Long-chain fatty acid transport protein 1 (Homo sapiens (Human))	BDBM50387683 (CHEMBL2058359) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 Show InChI InChI=1S/C20H18F3N5O2S/c1-2-28-17(11-24-13-6-4-3-5-7-13)26-27-19(28)31-12-18-25-15-10-14(30-20(21,22)23)8-9-16(15)29-18/h3-10,24H,2,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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)	BDBM50387683 (CHEMBL2058359) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 Show InChI InChI=1S/C20H18F3N5O2S/c1-2-28-17(11-24-13-6-4-3-5-7-13)26-27-19(28)31-12-18-25-15-10-14(30-20(21,22)23)8-9-16(15)29-18/h3-10,24H,2,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	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))	BDBM50387683 (CHEMBL2058359) Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 Show InChI InChI=1S/C20H18F3N5O2S/c1-2-28-17(11-24-13-6-4-3-5-7-13)26-27-19(28)31-12-18-25-15-10-14(30-20(21,22)23)8-9-16(15)29-18/h3-10,24H,2,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 2560-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.116 BindingDB Entry DOI: 10.7270/Q2H70H6K
					More data for this Ligand-Target Pair