BindingDB PrimarySearch

BDBM85507 CAS_4394-00-7::NSC_4488::Niflumic acid::Niflumic acid (Hit 16)::US10278929, Niflumic acid

SMILES: OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=JZFPYUNJRRFVQU-UHFFFAOYSA-N

Data: 4 KI 9 IC50 3 Kd 5 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 85507
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method				Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...				J Med Chem 58: 6507-15 (2015) BindingDB Entry DOI: 10.7270/Q2P84DP1
Ume£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 58: 6507-15 (2015) BindingDB Entry DOI: 10.7270/Q2P84DP1
Ume£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Transcriptional enhancer factor TEF-3 (Homo sapiens)	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
Universities of Lille Curated by ChEMBL					Assay Description Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by ITC assay				J Med Chem 61: 5057-5072 (2018) Article DOI: 10.1021/acs.jmedchem.7b00879 BindingDB Entry DOI: 10.7270/Q22B91H7
Universities of Lille Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR35 by DMR assay				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant DHODH				ACS Med Chem Lett 7: 1112-1117 (2016) Article DOI: 10.1021/acsmedchemlett.6b00316 BindingDB Entry DOI: 10.7270/Q2TM7D4P
Broad Institute Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...				ACS Med Chem Lett 3: 165-169 (2012) Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description The FP assay was then adapted for HTS and used to screen a �120,000 member small molecule library for compounds that displaced the FP probe from the ...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43
IRBM/Merck					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	n/a	592	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43
IRBM/Merck					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method				Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Transcription factor SOX-18 (SOX-18) (Mus musculus (Mouse))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.75E+5	n/a	n/a	n/a	n/a	7.5	37
The University of Queensland					Assay Description The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...				Cell Chem Biol 24: 346-359 (2017) Article DOI: 10.1016/j.chembiol.2017.01.003 BindingDB Entry DOI: 10.7270/Q2MP5252
The University of Queensland					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...				US Patent US8877795 (2014) BindingDB Entry DOI: 10.7270/Q2HT2N1M
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase (rFAAH∆TM) (Rattus norvegicus (Rat))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).									Chembiochem 14: 1611-9 (2013) Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 \| NSC_4488 \| Niflumic acid \| Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assay				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair