Compile Data Set for Download or QSAR

Found 283 hits with Last Name = 'forli' and Initial = 's'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187566 (4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-7-13(8-10-14)16(22)19-17-21-20-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia c...				J Med Chem 62: 2008-2023 (2019) Article DOI: 10.1021/acs.jmedchem.8b01573 BindingDB Entry DOI: 10.7270/Q2TH8R5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia c...				J Med Chem 62: 2008-2023 (2019) Article DOI: 10.1021/acs.jmedchem.8b01573 BindingDB Entry DOI: 10.7270/Q2TH8R5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187573 (3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...) Show SMILES Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187569 (4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...) Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187573 (3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...) Show SMILES Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187579 (4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...) Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187575 (4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187569 (4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...) Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187570 (4-(2-(benzyloxy)benzylidene)-1-phenylpyrazolidine-...) Show SMILES O=C1NN(C(=O)C1=Cc1ccccc1OCc1ccccc1)c1ccccc1 |w:7.8| Show InChI InChI=1S/C23H18N2O3/c26-22-20(23(27)25(24-22)19-12-5-2-6-13-19)15-18-11-7-8-14-21(18)28-16-17-9-3-1-4-10-17/h1-15H,16H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187577 (4-(4-(diethylamino)-2-hydroxybenzylidene)-1-(4-iod...) Show SMILES CCN(CC)c1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)c(O)c1 |w:9.8| Show InChI InChI=1S/C20H20IN3O3/c1-3-23(4-2)16-8-5-13(18(25)12-16)11-17-19(26)22-24(20(17)27)15-9-6-14(21)7-10-15/h5-12,25H,3-4H2,1-2H3,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187574 (4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...) Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187572 (4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...) Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50530214 (CHEBI:82937 | Leriglitazone | Min-102) Show SMILES CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia c...				J Med Chem 62: 2008-2023 (2019) Article DOI: 10.1021/acs.jmedchem.8b01573 BindingDB Entry DOI: 10.7270/Q2TH8R5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50530214 (CHEBI:82937 | Leriglitazone | Min-102) Show SMILES CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia c...				J Med Chem 62: 2008-2023 (2019) Article DOI: 10.1021/acs.jmedchem.8b01573 BindingDB Entry DOI: 10.7270/Q2TH8R5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187568 (2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)...) Show SMILES Clc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187565 (2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187576 (BAS-4844343 | CHEMBL207672 | N-(5-((1H-indol-3-yl)...) Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 Show InChI InChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187571 (2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...) Show SMILES COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187565 (2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187579 (4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...) Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187578 (BAS-0338868 | CHEMBL378903 | N-(5-phenethyl-1,3,4-...) Show SMILES O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1 Show InChI InChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187571 (2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...) Show SMILES COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187575 (4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187574 (4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...) Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187572 (4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...) Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187580 (4-(4-morpholinobenzylidene)-1-(4-iodophenyl)pyrazo...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O |w:12.13| Show InChI InChI=1S/C20H18IN3O3/c21-15-3-7-17(8-4-15)24-20(26)18(19(25)22-24)13-14-1-5-16(6-2-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187567 (1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylurea | ...) Show SMILES O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccccc1 Show InChI InChI=1S/C16H14N4OS/c21-15(17-13-9-5-2-6-10-13)18-16-20-19-14(22-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308732 (CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224129 (CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt 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
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308736 (CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...) Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224128 (CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308738 (CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308737 (CHEMBL600844 | n-Butyl-2-methyl-5-[4-(methylsulfon...) Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224122 (CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308735 (2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...) Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308739 (CHEMBL589087 | n-Butyl-2-methyl-5-[4-(methylsulfon...) Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308741 (CHEMBL589166 | n-Butyl-2-methyl-5-[4-(methylsulfon...) Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50166278 (CHEMBL191941 | [5-(4-Methanesulfonyl-phenyl)-2-met...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-10-12-20(13-11-17)28(3,25)26)23(16(18)2)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308734 (CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50253541 ((-)-(R)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-m...) Show SMILES CCOC(=O)[C@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50253543 ((+)-(S)-Ethyl-[2-hydroxy-2-[1-(4-methoxy)phenyl-2-...) Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C23H25NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-12-19(13-7-16)31(4,27)28)24(15(20)2)17-8-10-18(29-3)11-9-17/h6-14,22,25H,5H2,1-4H3/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50253627 ((-)-(R)-Ethyl-[2-ethoxy-2-[1-(4-methoxy)phenyl-2-m...) Show SMILES CCO[C@@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50253569 ((+/-)-Ethyl-[2-ethoxy-2-[1-(3-fluoro)phenyl-2-meth...) Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C24H26FNO5S/c1-5-30-23(24(27)31-6-2)21-15-22(17-10-12-20(13-11-17)32(4,28)29)26(16(21)3)19-9-7-8-18(25)14-19/h7-15,23H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50253567 ((+)-(S)-Ethyl-[2-ethoxy-2-[-2-methyl-5-(4-methylsu...) Show SMILES CCO[C@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r| Show InChI InChI=1S/C24H27NO5S/c1-5-29-23(24(26)30-6-2)21-16-22(18-12-14-20(15-13-18)31(4,27)28)25(17(21)3)19-10-8-7-9-11-19/h7-16,23H,5-6H2,1-4H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay				Bioorg Med Chem 16: 8072-81 (2008) Article DOI: 10.1016/j.bmc.2008.07.058 BindingDB Entry DOI: 10.7270/Q24J0DZW
					More data for this Ligand-Target Pair

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