Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'güngör' and Initial = 't'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368929 (CHEMBL610155) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC4CC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H31N7O4/c35-21-22(36)27(38-23(21)26(37)32-17-7-8-17)34-14-31-20-24(29-13-30-25(20)34)28-10-9-16-12-33(11-15-5-6-15)19-4-2-1-3-18(16)19/h1-4,12-15,17,21-23,27,35-36H,5-11H2,(H,32,37)(H,28,29,30)/t21-,22+,23-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453502 (CHEMBL2113573) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H36N8O4/c38-23-24(39)29(41-25(23)28(40)34-19-7-8-19)37-17-33-22-26(31-16-32-27(22)37)30-10-9-18-15-36(14-13-35-11-3-4-12-35)21-6-2-1-5-20(18)21/h1-2,5-6,15-17,19,23-25,29,38-39H,3-4,7-14H2,(H,34,40)(H,30,31,32)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453499 (CHEMBL2113598) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C23H25N7O4/c31-17-18(32)23(34-19(17)22(33)29-13-5-6-13)30-11-28-16-20(26-10-27-21(16)30)24-8-7-12-9-25-15-4-2-1-3-14(12)15/h1-4,9-11,13,17-19,23,25,31-32H,5-8H2,(H,29,33)(H,24,26,27)/t17-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membrane				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368937 (CHEMBL609252) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H38N8O4/c39-24-25(40)30(42-26(24)29(41)35-20-8-9-20)38-18-34-23-27(32-17-33-28(23)38)31-11-10-19-16-37(22-7-3-2-6-21(19)22)15-14-36-12-4-1-5-13-36/h2-3,6-7,16-18,20,24-26,30,39-40H,1,4-5,8-15H2,(H,35,41)(H,31,32,33)/t24-,25+,26-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453507 (CHEMBL2113584) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H27ClN6O4/c28-18-7-5-16(6-8-18)11-33-12-17(19-3-1-2-4-20(19)33)9-10-29-25-22-26(31-14-30-25)34(15-32-22)27-24(37)23(36)21(13-35)38-27/h1-8,12,14-15,21,23-24,27,35-37H,9-11,13H2,(H,29,30,31)/t21-,23-,24-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368922 (CHEMBL611311) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H31N7O4/c38-24-25(39)30(41-26(24)29(40)35-20-10-11-20)37-17-34-23-27(32-16-33-28(23)37)31-13-12-19-15-36(14-18-6-2-1-3-7-18)22-9-5-4-8-21(19)22/h1-9,15-17,20,24-26,30,38-39H,10-14H2,(H,35,40)(H,31,32,33)/t24-,25+,26-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368950 (CHEMBL610442) Show SMILES Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C24H27N7O4/c1-30-10-13(15-4-2-3-5-16(15)30)8-9-25-21-17-22(27-11-26-21)31(12-28-17)24-19(33)18(32)20(35-24)23(34)29-14-6-7-14/h2-5,10-12,14,18-20,24,32-33H,6-9H2,1H3,(H,29,34)(H,25,26,27)/t18-,19+,20-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453512 (CHEMBL2113599) Show SMILES COCCn1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C26H31N7O5/c1-37-11-10-32-12-15(17-4-2-3-5-18(17)32)8-9-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(38-26)25(36)31-16-6-7-16/h2-5,12-14,16,20-22,26,34-35H,6-11H2,1H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453510 (CHEMBL2113586) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccnc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H30N8O4/c38-23-24(39)29(41-25(23)28(40)35-19-7-8-19)37-16-34-22-26(32-15-33-27(22)37)31-11-9-18-14-36(13-17-4-3-10-30-12-17)21-6-2-1-5-20(18)21/h1-6,10,12,14-16,19,23-25,29,38-39H,7-9,11,13H2,(H,35,40)(H,31,32,33)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453511 (CHEMBL2113587) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc(c4)[N+]([O-])=O)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H30N8O6/c39-24-25(40)30(44-26(24)29(41)35-19-8-9-19)37-16-34-23-27(32-15-33-28(23)37)31-11-10-18-14-36(22-7-2-1-6-21(18)22)13-17-4-3-5-20(12-17)38(42)43/h1-7,12,14-16,19,24-26,30,39-40H,8-11,13H2,(H,35,41)(H,31,32,33)/t24-,25+,26-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368930 (CHEMBL607875) Show SMILES O[C@@H]1[C@H](O)[C@H](OC1N1CNc2c1ncnc2NCCc1cn(Cc2ccccn2)c2ccccc12)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H32N8O4/c38-23-24(39)29(41-25(23)28(40)35-18-8-9-18)37-16-34-22-26(32-15-33-27(22)37)31-12-10-17-13-36(14-19-5-3-4-11-30-19)21-7-2-1-6-20(17)21/h1-7,11,13,15,18,23-25,29,34,38-39H,8-10,12,14,16H2,(H,35,40)(H,31,32,33)/t23-,24+,25-,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368940 (CHEMBL611000) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC=C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C26H29N7O4/c1-2-11-32-12-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h2-6,12-14,16,20-22,26,34-35H,1,7-11H2,(H,31,36)(H,27,28,29)/t20-,21+,22-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368928 (CHEMBL611600) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H28N6O4/c34-14-21-23(35)24(36)27(37-21)33-16-31-22-25(29-15-30-26(22)33)28-11-10-18-13-32(12-17-6-2-1-3-7-17)20-9-5-4-8-19(18)20/h1-9,13,15-16,21,23-24,27,34-36H,10-12,14H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368931 (CHEMBL608964) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H30ClN7O4/c31-19-7-5-17(6-8-19)13-37-14-18(21-3-1-2-4-22(21)37)11-12-32-27-23-28(34-15-33-27)38(16-35-23)30-25(40)24(39)26(42-30)29(41)36-20-9-10-20/h1-8,14-16,20,24-26,30,39-40H,9-13H2,(H,36,41)(H,32,33,34)/t24-,25+,26-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453500 (CHEMBL2113596) Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(C)ccc23)c1 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-4-6-20(3)22(12-18)15-39-14-21(24-13-19(2)5-9-25(24)39)10-11-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-23-7-8-23/h4-6,9,12-14,16-17,23,27-29,33,41-42H,7-8,10-11,15H2,1-3H3,(H,38,43)(H,34,35,36)/t27-,28+,29-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453508 (CHEMBL2113585) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(C4CCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C28H33N7O4/c36-22-23(37)28(39-24(22)27(38)33-17-9-10-17)35-15-32-21-25(30-14-31-26(21)35)29-12-11-16-13-34(18-5-1-2-6-18)20-8-4-3-7-19(16)20/h3-4,7-8,13-15,17-18,22-24,28,36-37H,1-2,5-6,9-12H2,(H,33,38)(H,29,30,31)/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453501 (CHEMBL2113597) Show SMILES CC(C)n1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C26H31N7O4/c1-14(2)32-11-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-12-28-23)33(13-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h3-6,11-14,16,20-22,26,34-35H,7-10H2,1-2H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368952 (CHEMBL610717) Show SMILES Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C31H33N7O4/c1-18-6-8-19(9-7-18)14-37-15-20(22-4-2-3-5-23(22)37)12-13-32-28-24-29(34-16-33-28)38(17-35-24)31-26(40)25(39)27(42-31)30(41)36-21-10-11-21/h2-9,15-17,21,25-27,31,39-40H,10-14H2,1H3,(H,36,41)(H,32,33,34)/t25-,26+,27-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368939 (CHEMBL611598) Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)c1 |r| Show InChI InChI=1S/C32H35N7O4/c1-18-7-8-19(2)21(13-18)15-38-14-20(23-5-3-4-6-24(23)38)11-12-33-29-25-30(35-16-34-29)39(17-36-25)32-27(41)26(40)28(43-32)31(42)37-22-9-10-22/h3-8,13-14,16-17,22,26-28,32,40-41H,9-12,15H2,1-2H3,(H,37,42)(H,33,34,35)/t26-,27+,28-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368941 (CHEMBL608369) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H29Cl2N7O4/c31-20-8-5-16(11-21(20)32)12-38-13-17(19-3-1-2-4-22(19)38)9-10-33-27-23-28(35-14-34-27)39(15-36-23)30-25(41)24(40)26(43-30)29(42)37-18-6-7-18/h1-5,8,11,13-15,18,24-26,30,40-41H,6-7,9-10,12H2,(H,37,42)(H,33,34,35)/t24-,25+,26-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453505 (CHEMBL2113589) Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C32H34ClN7O4/c1-17-3-4-18(2)20(11-17)14-39-13-19(23-12-21(33)5-8-24(23)39)9-10-34-29-25-30(36-15-35-29)40(16-37-25)32-27(42)26(41)28(44-32)31(43)38-22-6-7-22/h3-5,8,11-13,15-16,22,26-28,32,41-42H,6-7,9-10,14H2,1-2H3,(H,38,43)(H,34,35,36)/t26-,27+,28-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368943 (CHEMBL609554) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C31H35N7O4/c1-4-32-30(41)27-25(39)26(40)31(42-27)38-17-36-24-28(34-16-35-29(24)38)33-12-11-20-14-37(23-8-6-5-7-22(20)23)15-21-13-18(2)9-10-19(21)3/h5-10,13-14,16-17,25-27,31,39-40H,4,11-12,15H2,1-3H3,(H,32,41)(H,33,34,35)/t25-,26+,27-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368951 (CHEMBL611599) Show SMILES Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1C |r| Show InChI InChI=1S/C32H35N7O4/c1-18-7-8-20(13-19(18)2)14-38-15-21(23-5-3-4-6-24(23)38)11-12-33-29-25-30(35-16-34-29)39(17-36-25)32-27(41)26(40)28(43-32)31(42)37-22-9-10-22/h3-8,13,15-17,22,26-28,32,40-41H,9-12,14H2,1-2H3,(H,37,42)(H,33,34,35)/t26-,27+,28-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368947 (CHEMBL610724) Show SMILES COc1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C31H33N7O5/c1-42-23-9-5-2-6-19(23)15-37-14-18(21-7-3-4-8-22(21)37)12-13-32-28-24-29(34-16-33-28)38(17-35-24)31-26(40)25(39)27(43-31)30(41)36-20-10-11-20/h2-9,14,16-17,20,25-27,31,39-40H,10-13,15H2,1H3,(H,36,41)(H,32,33,34)/t25-,26+,27-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368953 (CHEMBL608962) Show SMILES CN(C)c1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C32H36N8O4/c1-38(2)23-9-5-3-7-20(23)16-39-15-19(22-8-4-6-10-24(22)39)13-14-33-29-25-30(35-17-34-29)40(18-36-25)32-27(42)26(41)28(44-32)31(43)37-21-11-12-21/h3-10,15,17-18,21,26-28,32,41-42H,11-14,16H2,1-2H3,(H,37,43)(H,33,34,35)/t26-,27+,28-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368927 (CHEMBL609555) Show SMILES CC(Cc1cn(Cc2cc(C)ccc2C)c2ccccc12)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-8-9-19(2)21(12-18)14-39-15-22(24-6-4-5-7-25(24)39)13-20(3)37-30-26-31(35-16-34-30)40(17-36-26)33-28(42)27(41)29(44-33)32(43)38-23-10-11-23/h4-9,12,15-17,20,23,27-29,33,41-42H,10-11,13-14H2,1-3H3,(H,38,43)(H,34,35,37)/t20?,27-,28+,29-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453504 (CHEMBL2113591) Show SMILES CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1cn(Cc2cc(C)ccc2C)c2ccccc12 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-8-9-19(2)21(12-18)14-39-15-24(23-6-4-5-7-25(23)39)20(3)13-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-22-10-11-22/h4-9,12,15-17,20,22,27-29,33,41-42H,10-11,13-14H2,1-3H3,(H,38,43)(H,34,35,36)/t20?,27-,28+,29-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453498 (CHEMBL2113594) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc5ccccc45)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C34H33N7O4/c42-28-29(43)34(45-30(28)33(44)39-23-12-13-23)41-19-38-27-31(36-18-37-32(27)41)35-15-14-22-17-40(26-11-4-3-10-25(22)26)16-21-8-5-7-20-6-1-2-9-24(20)21/h1-11,17-19,23,28-30,34,42-43H,12-16H2,(H,39,44)(H,35,36,37)/t28-,29+,30-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membrane				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453509 (CHEMBL2113603) Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c3ccccc23)c1 |r| Show InChI InChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453513 (CHEMBL2113579) Show SMILES COCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H32ClN7O5/c1-42-13-12-33-29(41)26-24(39)25(40)30(43-26)38-17-36-23-27(34-16-35-28(23)38)32-11-10-19-15-37(22-5-3-2-4-21(19)22)14-18-6-8-20(31)9-7-18/h2-9,15-17,24-26,30,39-40H,10-14H2,1H3,(H,33,41)(H,32,34,35)/t24-,25+,26-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453503 (CHEMBL2113590) Show SMILES Cc1c(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc2n1C1CCCC1 |r| Show InChI InChI=1S/C29H35N7O4/c1-16-19(20-8-4-5-9-21(20)36(16)18-6-2-3-7-18)12-13-30-26-22-27(32-14-31-26)35(15-33-22)29-24(38)23(37)25(40-29)28(39)34-17-10-11-17/h4-5,8-9,14-15,17-18,23-25,29,37-38H,2-3,6-7,10-13H2,1H3,(H,34,39)(H,30,31,32)/t23-,24+,25-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	895	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453506 (CHEMBL2113583) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H33N7O4/c1-17-8-9-18(2)20(12-17)14-36-13-19(21-6-4-5-7-22(21)36)10-11-32-27-23-28(34-15-33-27)37(16-35-23)30-25(39)24(38)26(41-30)29(40)31-3/h4-9,12-13,15-16,24-26,30,38-39H,10-11,14H2,1-3H3,(H,31,40)(H,32,33,34)/t24-,25+,26-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					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	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					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	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144779 (3-(3-Bromo-4-hydroxy-phenyl)-2-ethyl-5-methyl-2H-b...) Show SMILES CCC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:13| Show InChI InChI=1S/C17H16BrNO3/c1-3-14-17(10-4-5-13(21)12(18)7-10)19-16-9(2)6-11(20)8-15(16)22-14/h4-8,14,20-21H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144777 (2-Ethyl-3-(4-hydroxy-phenyl)-2H-benzo[1,4]oxazine-...) Show SMILES CCC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:13| Show InChI InChI=1S/C16H15NO4/c1-2-13-15(9-3-5-10(18)6-4-9)17-16-12(20)7-11(19)8-14(16)21-13/h3-8,13,18-20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144779 (3-(3-Bromo-4-hydroxy-phenyl)-2-ethyl-5-methyl-2H-b...) Show SMILES CCC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:13| Show InChI InChI=1S/C17H16BrNO3/c1-3-14-17(10-4-5-13(21)12(18)7-10)19-16-9(2)6-11(20)8-15(16)22-14/h4-8,14,20-21H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144778 (2-Ethyl-3-(4-hydroxy-phenyl)-2H-benzo[1,4]oxazin-7...) Show SMILES CCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:12| Show InChI InChI=1S/C16H15NO3/c1-2-14-16(10-3-5-11(18)6-4-10)17-13-8-7-12(19)9-15(13)20-14/h3-9,14,18-19H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17289 ((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144773 (3-(4-Hydroxy-phenyl)-2-methyl-2H-benzo[1,4]oxazine...) Show SMILES CC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:12| Show InChI InChI=1S/C15H13NO4/c1-8-14(9-2-4-10(17)5-3-9)16-15-12(19)6-11(18)7-13(15)20-8/h2-8,17-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144773 (3-(4-Hydroxy-phenyl)-2-methyl-2H-benzo[1,4]oxazine...) Show SMILES CC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:12| Show InChI InChI=1S/C15H13NO4/c1-8-14(9-2-4-10(17)5-3-9)16-15-12(19)6-11(18)7-13(15)20-8/h2-8,17-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144775 (3-(4-Hydroxy-phenyl)-2-propyl-2H-benzo[1,4]oxazin-...) Show SMILES CCCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:13| Show InChI InChI=1S/C17H17NO3/c1-2-3-15-17(11-4-6-12(19)7-5-11)18-14-9-8-13(20)10-16(14)21-15/h4-10,15,19-20H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144771 (3-(4-Hydroxy-phenyl)-2-methyl-2H-benzo[1,4]oxazin-...) Show SMILES CC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:11| Show InChI InChI=1S/C15H13NO3/c1-9-15(10-2-4-11(17)5-3-10)16-13-7-6-12(18)8-14(13)19-9/h2-9,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17289 ((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144778 (2-Ethyl-3-(4-hydroxy-phenyl)-2H-benzo[1,4]oxazin-7...) Show SMILES CCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:12| Show InChI InChI=1S/C16H15NO3/c1-2-14-16(10-3-5-11(18)6-4-10)17-13-8-7-12(19)9-15(13)20-14/h3-9,14,18-19H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144773 (3-(4-Hydroxy-phenyl)-2-methyl-2H-benzo[1,4]oxazine...) Show SMILES CC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:12| Show InChI InChI=1S/C15H13NO4/c1-8-14(9-2-4-10(17)5-3-9)16-15-12(19)6-11(18)7-13(15)20-8/h2-8,17-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144783 (3-(3-Bromo-4-hydroxy-phenyl)-2-ethyl-2H-benzo[1,4]...) Show SMILES CCC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 |c:13| Show InChI InChI=1S/C16H14BrNO4/c1-2-13-15(8-3-4-11(20)10(17)5-8)18-16-12(21)6-9(19)7-14(16)22-13/h3-7,13,19-21H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>

Jump to: