BDBM35919 flufenamic acid analogue, 45

SMILES: OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1

InChI Key: InChIKey=YKXRPQKGOAZEFQ-UHFFFAOYSA-N

Data: 3 KI  1 Kd  1 EC50

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 5 hits for monomerid = 35919   

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))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...				ACS Chem Biol 4: 834-43 (2009) Article DOI: 10.1021/cb900143a BindingDB Entry DOI: 10.7270/Q2V986DC
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)