Compile Data Set for Download or QSAR

Found 1506 hits with Last Name = 'schubert-zsilavecz' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor subfamily 5 group A member 2 (Homo sapiens (Human))	BDBM50418303 (CHEMBL1765959) Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2 (Homo sapiens (Human))	CHEMBL5271417 Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50264106 (CHEMBL3818875) Show SMILES CNc1nc(C)nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)n1 |r| Show InChI InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561492 (CHEMBL4800490) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561490 (CHEMBL4746942) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561482 (CHEMBL4764099) Show SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccccc1)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561483 (CHEMBL4795110) Show SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(F)cc1)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561486 (CHEMBL4759111) Show SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)cc1)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561489 (CHEMBL4745687) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561488 (CHEMBL4745452) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)S(N)(=O)=O)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561491 (CHEMBL4755533) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561484 (CHEMBL4778283) Show SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50497566 (CHEMBL3344193) Show SMILES COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johann-Wolfgang-Goethe University of Frankfurt Curated by ChEMBL					Assay Description Inhibition of Plk1 immunoprecipitated from human HeLa cells using casein substrate after 12 to 26 hrs by autoradiography				Bioorg Med Chem Lett 24: 5063-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.015 BindingDB Entry DOI: 10.7270/Q26Q2171
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561487 (CHEMBL4759652) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561495 (CHEMBL4794423) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561494 (CHEMBL4751593) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561480 (CHEMBL4791222) Show SMILES COc1ccc(CNC(=O)c2cccc(c2)C#CC(C)N(O)C(N)=O)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561493 (CHEMBL4747688) Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCN(c1ccccc1)c1ccccc1)N(O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561474 (CHEMBL4746544) Show SMILES CC(C)CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX1 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50561485 (CHEMBL4757630) Show SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00561 BindingDB Entry DOI: 10.7270/Q2ST7TJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273442 (2-(4-Chloro-6-(5-methoxy-2-methylbiphenyl-4-ylamin...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30ClN3O3S/c1-4-5-6-10-13-22(25(31)32)34-26-29-23(27)16-24(30-26)28-20-14-17(2)19(15-21(20)33-3)18-11-8-7-9-12-18/h7-9,11-12,14-16,22H,4-6,10,13H2,1-3H3,(H,31,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273441 ((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273390 ((S)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...) Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273389 (2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273388 (CHEMBL456575 | Ethyl 2-(4-(biphenyl-4-ylmethylamin...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(=O)OCC Show InChI InChI=1S/C27H32ClN3O2S/c1-3-5-6-10-13-23(26(32)33-4-2)34-27-30-24(28)18-25(31-27)29-19-20-14-16-22(17-15-20)21-11-8-7-9-12-21/h7-9,11-12,14-18,23H,3-6,10,13,19H2,1-2H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273710 (2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273708 (CHEMBL460615 | Ethyl 2-(4-chloro-6-(2-phenoxyethyl...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)OCC Show InChI InChI=1S/C22H30ClN3O3S/c1-3-5-6-10-13-18(21(27)28-4-2)30-22-25-19(23)16-20(26-22)24-14-15-29-17-11-8-7-9-12-17/h7-9,11-12,16,18H,3-6,10,13-15H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273707 (2-(4-Chloro-6-(2-phenoxyethylamino)pyrimidin-2-ylt...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O3S/c1-2-3-4-8-11-16(19(25)26)28-20-23-17(21)14-18(24-20)22-12-13-27-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273685 (2-(4-Chloro-6-(phenethylamino)pyrimidin-2-ylthio)o...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-2-3-4-8-11-16(19(25)26)27-20-23-17(21)14-18(24-20)22-13-12-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273684 (CHEMBL460184 | Ethyl 2-(4,6-diphenethoxypyrimidin-...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)OCC Show InChI InChI=1S/C28H34N2O4S/c1-3-5-16-24(27(31)32-4-2)35-28-29-25(33-19-17-22-12-8-6-9-13-22)21-26(30-28)34-20-18-23-14-10-7-11-15-23/h6-15,21,24H,3-5,16-20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273683 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273682 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)acetic acid ...) Show SMILES OC(=O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1 Show InChI InChI=1S/C22H22N2O4S/c25-21(26)16-29-22-23-19(27-13-11-17-7-3-1-4-8-17)15-20(24-22)28-14-12-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM24565 (2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimid...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S/c1-2-3-4-5-8-18(21(28)29)30-22-26-19(23)13-20(27-22)25-14-15-9-10-17-16(12-15)7-6-11-24-17/h6-7,9-13,18H,2-5,8,14H2,1H3,(H,28,29)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50253880 (2-(4-chloro-6-(quinolin-6-yloxy)pyrimidin-2-ylthio...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H22ClN3O3S/c1-2-3-4-5-8-17(20(26)27)29-21-24-18(22)13-19(25-21)28-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM24561 (CHEMBL459722 | Pirinixic acid-based compound, 6d |...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC Show InChI InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50253803 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3ccccc3)n2)c1C Show InChI InChI=1S/C20H18ClN3O2S/c1-12-7-6-10-15(13(12)2)22-17-11-16(21)23-20(24-17)27-18(19(25)26)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273385 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES CCCCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C22H30ClN3O2S/c1-4-5-6-7-8-9-13-18(21(27)28)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(2)16(17)3/h10-12,14,18H,4-9,13H2,1-3H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50253879 (CHEMBL459720 | ethyl 2-(4-chloro-6-(2,3-dimethylph...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC Show InChI InChI=1S/C22H30ClN3O2S/c1-5-7-8-9-13-18(21(27)28-6-2)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(3)16(17)4/h10-12,14,18H,5-9,13H2,1-4H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM24560 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273681 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50273680 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(O)=O)n2)c1C Show InChI InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(10(9)2)18-13-8-12(17)19-15(20-13)23-16(3,4)14(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50253802 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES CC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C15H16ClN3O2S/c1-8-5-4-6-11(9(8)2)17-13-7-12(16)18-15(19-13)22-10(3)14(20)21/h4-7,10H,1-3H3,(H,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair

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