BDBM50468370 CHEMBL4293576

SMILES: COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(C(O)=O)c1F

InChI Key: InChIKey=GBWOMBQVUCUIGY-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50468370   

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))	BDBM50468370 (CHEMBL4293576) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(C(O)=O)c1F Show InChI InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.75E+3	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				3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50468370 (CHEMBL4293576) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(C(O)=O)c1F Show InChI InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Binding affinity to FABP4 (unknown origin) by isothermal calorimetric titration method				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				3D Structure (crystal)