BDBM50468359 CHEMBL4285684

SMILES: COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=JZHNKEXLWCIYFC-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50468359   

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))	BDBM50468359 (CHEMBL4285684) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay				Eur J Med Chem 154: 44-59 (2018) Article DOI: 10.1016/j.ejmech.2018.05.007 BindingDB Entry DOI: 10.7270/Q2BR8VWB
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50468359 (CHEMBL4285684) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of FABP3 (unknown origin)				Eur J Med Chem 154: 44-59 (2018) Article DOI: 10.1016/j.ejmech.2018.05.007 BindingDB Entry DOI: 10.7270/Q2BR8VWB
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50468359 (CHEMBL4285684) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay				Eur J Med Chem 154: 44-59 (2018) Article DOI: 10.1016/j.ejmech.2018.05.007 BindingDB Entry DOI: 10.7270/Q2BR8VWB
					More data for this Ligand-Target Pair