BDBM50063854 CHEMBL3400157

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O

InChI Key: InChIKey=YHGKEORTCHVBQH-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50063854   

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
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP5 (unknown origin)				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP3 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50063854 (CHEMBL3400157) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of FABP4 (unknown origin) relative to linoleic acid				Eur J Med Chem 90: 241-50 (2015) Article DOI: 10.1016/j.ejmech.2014.11.020 BindingDB Entry DOI: 10.7270/Q29K4CXF
					More data for this Ligand-Target Pair