BDBM50468371 CHEMBL4283424

SMILES: COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

InChI Key: InChIKey=JMNUWFAOQMRPRY-UHFFFAOYSA-N

Data: 1 KI  3 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 = 50468371   

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))	BDBM50468371 (CHEMBL4283424) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O Show InChI InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)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	210	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))	BDBM50468371 (CHEMBL4283424) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O Show InChI InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)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	1.69E+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 human recombinant full length N-terminal his-tagged FABP4 expressed in Escherichia coli BL21 (DE3) incubated for 3 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.031
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50468371 (CHEMBL4283424) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O Show InChI InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)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	1.69E+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				3D Structure (crystal)
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50468371 (CHEMBL4283424) Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O Show InChI InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)18(21)22/h2-10,20H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB 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