BDBM50207446 2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl)acetic acid::CHEMBL404108

SMILES: Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1

InChI Key: InChIKey=KHPKQFYUPIUARC-UHFFFAOYSA-N

Data: 1 KI  13 IC50

PDB links: 6 PDB IDs match 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 14 hits for monomerid = 50207446   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid				J Biol Chem 282: 16379-90 (2007) Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin)				Bioorg Med Chem Lett 26: 1516-20 (2016) BindingDB Entry DOI: 10.7270/Q2377BKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid				J Biol Chem 282: 16379-90 (2007) Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of human COX2 mediated PGE2 production in IL-1-beta-induced human dermal fibroblast cells				J Biol Chem 282: 16379-90 (2007) Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured ...				Bioorg Med Chem Lett 23: 5860-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.097 BindingDB Entry DOI: 10.7270/Q2SB48P0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2932-42 (2012) Article DOI: 10.1021/jm201706b BindingDB Entry DOI: 10.7270/Q2RJ4KGS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2932-42 (2012) Article DOI: 10.1021/jm201706b BindingDB Entry DOI: 10.7270/Q2RJ4KGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50207446 (2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...) Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of human COX2 mediated PGE2 production in human whole blood				J Biol Chem 282: 16379-90 (2007) Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N
					More data for this Ligand-Target Pair				3D Structure (crystal)