Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'sheng' 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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50133069 (3'-Ethylamino-[1,1';2',1'']terphenyl-4'-carbaldehy...) Show SMILES CCNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C21H20N2O/c1-2-22-21-18(15-23-24)13-14-19(16-9-5-3-6-10-16)20(21)17-11-7-4-8-12-17/h3-14,22H,2,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50133070 (CHEMBL335465 | [1,1';2',1'']Terphenyl-4'-carbaldeh...) Show SMILES O=NCc1ccc(-c2ccccc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C19H15NO/c21-20-14-15-11-12-18(16-7-3-1-4-8-16)19(13-15)17-9-5-2-6-10-17/h1-13H,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor alpha compared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50133070 (CHEMBL335465 | [1,1';2',1'']Terphenyl-4'-carbaldeh...) Show SMILES O=NCc1ccc(-c2ccccc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C19H15NO/c21-20-14-15-11-12-18(16-7-3-1-4-8-16)19(13-15)17-9-5-2-6-10-17/h1-13H,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50133069 (3'-Ethylamino-[1,1';2',1'']terphenyl-4'-carbaldehy...) Show SMILES CCNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C21H20N2O/c1-2-22-21-18(15-23-24)13-14-19(16-9-5-3-6-10-16)20(21)17-11-7-4-8-12-17/h3-14,22H,2,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor alpha compared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50133071 (3'-Hydroxy-[1,1';2',1'']terphenyl-4'-carbaldehyde ...) Show SMILES Oc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19-16(13-20-22)11-12-17(14-7-3-1-4-8-14)18(19)15-9-5-2-6-10-15/h1-12,21H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor alpha compared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50133071 (3'-Hydroxy-[1,1';2',1'']terphenyl-4'-carbaldehyde ...) Show SMILES Oc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19-16(13-20-22)11-12-17(14-7-3-1-4-8-14)18(19)15-9-5-2-6-10-15/h1-12,21H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50133072 (3'-Amino-[1,1';2',1'']terphenyl-4'-carbaldehyde ox...) Show SMILES Nc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H16N2O/c20-19-16(13-21-22)11-12-17(14-7-3-1-4-8-14)18(19)15-9-5-2-6-10-15/h1-12H,13,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor alpha compared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50133072 (3'-Amino-[1,1';2',1'']terphenyl-4'-carbaldehyde ox...) Show SMILES Nc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H16N2O/c20-19-16(13-21-22)11-12-17(14-7-3-1-4-8-14)18(19)15-9-5-2-6-10-15/h1-12H,13,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50133068 (3'-Methylamino-[1,1';2',1'']terphenyl-4'-carbaldeh...) Show SMILES CNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C20H18N2O/c1-21-20-17(14-22-23)12-13-18(15-8-4-2-5-9-15)19(20)16-10-6-3-7-11-16/h2-13,21H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor alpha compared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50133068 (3'-Methylamino-[1,1';2',1'']terphenyl-4'-carbaldeh...) Show SMILES CNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C20H18N2O/c1-21-20-17(14-22-23)12-13-18(15-8-4-2-5-9-15)19(20)16-10-6-3-7-11-16/h2-13,21H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19455 (4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(24(35-37)18-4-8-19(38)9-5-18)17-6-10-20(11-7-17)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-42.6	n/a	n/a	90	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19454 (4-[2-(4-hydroxyphenyl)-5,7-bis(trifluoromethyl)pyr...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O2/c21-19(22,23)14-9-15(20(24,25)26)29-18(27-14)16(10-1-5-12(30)6-2-10)17(28-29)11-3-7-13(31)8-4-11/h1-9,30-31H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-39.7	n/a	n/a	6.00E+3	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19456 (4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...) Show SMILES CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1 Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-14(6-10-17)20-21(15-3-7-16(35)8-4-15)32-34-19(24(28,29)30)13-18(23(25,26)27)31-22(20)34/h3-10,13,35H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	-38.3	n/a	n/a	1.00E+3	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19454 (4-[2-(4-hydroxyphenyl)-5,7-bis(trifluoromethyl)pyr...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O2/c21-19(22,23)14-9-15(20(24,25)26)29-18(27-14)16(10-1-5-12(30)6-2-10)17(28-29)11-3-7-13(31)8-4-11/h1-9,30-31H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	-38.3	n/a	n/a	600	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19453 (4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	-38.1	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19455 (4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(24(35-37)18-4-8-19(38)9-5-18)17-6-10-20(11-7-17)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	-37.4	n/a	n/a	40	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha by displacement of [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19453 (4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	122	-36.2	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19452 (4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a...) Show SMILES Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	139	-35.9	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19458 (4-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-15(6-10-17)21-20(14-3-7-16(35)8-4-14)22-31-18(23(25,26)27)13-19(24(28,29)30)34(22)32-21/h3-10,13,35H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	156	-35.6	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19456 (4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...) Show SMILES CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1 Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-14(6-10-17)20-21(15-3-7-16(35)8-4-15)32-34-19(24(28,29)30)13-18(23(25,26)27)31-22(20)34/h3-10,13,35H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	178	-35.3	n/a	n/a	250	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19457 (4-(2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...) Show SMILES Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(17-4-8-19(38)9-5-17)24(35-37)18-6-10-20(11-7-18)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	192	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19457 (4-(2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...) Show SMILES Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(17-4-8-19(38)9-5-17)24(35-37)18-6-10-20(11-7-18)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	266	-34.4	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19458 (4-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-15(6-10-17)21-20(14-3-7-16(35)8-4-14)22-31-18(23(25,26)27)13-19(24(28,29)30)34(22)32-21/h3-10,13,35H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	408	-33.4	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198173 (2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...) Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198172 (2-((5-(4-Chlorophenylamino)-1,3,4-oxadiazol-2-yl)m...) Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C24H17ClN6O2/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198171 (2-((5-(4-Methoxyphenylamino)-1,3,4-oxadiazol-2-yl)...) Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C25H20N6O3/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198174 (2-((5-(4-Methoxyphenylamino)-1,3,4-thiadiazol-2-yl...) Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1 Show InChI InChI=1S/C25H20N6O2S/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198176 (2-((5-(4-Nitrophenylamino)-1,3,4-thiadiazol-2-yl)m...) Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1 Show InChI InChI=1S/C24H17N7O3S/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198175 (2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)...) Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1 Show InChI InChI=1S/C24H17ClN6OS/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19451 (2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6...) Show SMILES Oc1ccc(cc1)-c1nn2cc(O)cnc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C18H13N3O3/c22-13-5-1-11(2-6-13)16-17(12-3-7-14(23)8-4-12)20-21-10-15(24)9-19-18(16)21/h1-10,22-24H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.52E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19452 (4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a...) Show SMILES Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	-29.6	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19451 (2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6...) Show SMILES Oc1ccc(cc1)-c1nn2cc(O)cnc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C18H13N3O3/c22-13-5-1-11(2-6-13)16-17(12-3-7-14(23)8-4-12)20-21-10-15(24)9-19-18(16)21/h1-10,22-24H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.33E+3	-28.6	n/a	n/a	n/a	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50114413 (CHEMBL3608346) Show SMILES Oc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)c(O)c1 Show InChI InChI=1S/C24H17N5O4/c30-17-11-12-18(19(31)13-17)23-27-26-20(33-23)14-29-24(32)25-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13,30-31H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50114414 (CHEMBL3608347) Show SMILES Nc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1 Show InChI InChI=1S/C24H18N6O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15,25H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50114415 (CHEMBL3608348) Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1 Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50114416 (CHEMBL3608351) Show SMILES COc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1 Show InChI InChI=1S/C25H19N5O3/c1-32-20-14-12-19(13-15-20)24-28-27-21(33-24)16-30-25(31)26-22(17-8-4-2-5-9-17)23(29-30)18-10-6-3-7-11-18/h2-15H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50114417 (CHEMBL3608353) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1 Show InChI InChI=1S/C24H16N6O4/c31-24-25-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)28-29(24)15-20-26-27-23(34-20)18-11-13-19(14-12-18)30(32)33/h1-14H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...				Eur J Med Chem 101: 81-95 (2015) Article DOI: 10.1016/j.ejmech.2015.06.020 BindingDB Entry DOI: 10.7270/Q2J38VCX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50215926 (4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...) Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...				J Med Chem 54: 2492-503 (2011) Article DOI: 10.1021/jm200039m BindingDB Entry DOI: 10.7270/Q2QV3NMT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198173 (2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...) Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198172 (2-((5-(4-Chlorophenylamino)-1,3,4-oxadiazol-2-yl)m...) Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C24H17ClN6O2/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198171 (2-((5-(4-Methoxyphenylamino)-1,3,4-oxadiazol-2-yl)...) Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1 Show InChI InChI=1S/C25H20N6O3/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198174 (2-((5-(4-Methoxyphenylamino)-1,3,4-thiadiazol-2-yl...) Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1 Show InChI InChI=1S/C25H20N6O2S/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50215926 (4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...) Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	924	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Inhibition of MMP12				J Med Chem 54: 2492-503 (2011) Article DOI: 10.1021/jm200039m BindingDB Entry DOI: 10.7270/Q2QV3NMT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM198176 (2-((5-(4-Nitrophenylamino)-1,3,4-thiadiazol-2-yl)m...) Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1 Show InChI InChI=1S/C24H17N7O3S/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University)					Assay Description The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...				Bioorg Chem 69: 102-120 (2016) Article DOI: 10.1016/j.bioorg.2016.10.003 BindingDB Entry DOI: 10.7270/Q2SB44K0
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50215926 (4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...) Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 54: 2492-503 (2011) Article DOI: 10.1021/jm200039m BindingDB Entry DOI: 10.7270/Q2QV3NMT
					More data for this Ligand-Target Pair

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