Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'bagli' and Initial = 'jf'   

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
Type-1 angiotensin II receptor A/B (RAT)	BDBM50067536 (5-Hydroxy-2,4-dimethyl-8-[2'-(1H-tetrazol-5-yl)-bi...) Show SMILES Cc1nc(C)c2c(O)cc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1 Show InChI InChI=1S/C23H19N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-11,31H,12H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471877 (CHEMBL135574) Show SMILES Cc1nc(CO)nc2n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c(=O)cc(O)c12 Show InChI InChI=1S/C23H19N7O3/c1-13-21-18(32)10-20(33)30(23(21)25-19(12-31)24-13)11-14-6-8-15(9-7-14)16-4-2-3-5-17(16)22-26-28-29-27-22/h2-10,31-32H,11-12H2,1H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50040439 (2,4-Dimethyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1 Show InChI InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087670 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...) Show SMILES CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1 Show InChI InChI=1S/C38H36ClN5O2/c1-41-19-21-42(22-20-41)25-30-16-17-31-26-44(36-14-8-5-11-28(36)24-43(30)31)38(46)34-18-15-29(23-35(34)39)40-37(45)33-13-7-6-12-32(33)27-9-3-2-4-10-27/h2-18,23H,19-22,24-26H2,1H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087664 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...) Show SMILES CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1 Show InChI InChI=1S/C40H40ClN5O2/c1-43(2)31-20-22-44(23-21-31)26-32-17-18-33-27-46(38-15-9-6-12-29(38)25-45(32)33)40(48)36-19-16-30(24-37(36)41)42-39(47)35-14-8-7-13-34(35)28-10-4-3-5-11-28/h3-19,24,31H,20-23,25-27H2,1-2H3,(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087675 (Biphenyl-2-carboxylic acid [4-(3-[1,4']bipiperidin...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCC(CC3)N3CCCCC3)n2Cc2ccccc12 Show InChI InChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471878 (CHEMBL337067) Show SMILES Cc1nc(C)c2C(O)CC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1 Show InChI InChI=1S/C23H21N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-10,19,31H,11-12H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087674 (Biphenyl-2-carboxylic acid [3-chloro-4-(3-{[(2-dim...) Show SMILES CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C38H38ClN5O2/c1-41(2)21-22-42(3)25-30-18-19-31-26-44(36-16-10-7-13-28(36)24-43(30)31)38(46)34-20-17-29(23-35(34)39)40-37(45)33-15-9-8-14-32(33)27-11-5-4-6-12-27/h4-20,23H,21-22,24-26H2,1-3H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087667 (10-{4-[(Biphenyl-2-carbonyl)-amino]-2-chloro-benzo...) Show SMILES OC(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C33H24ClN3O4/c34-28-18-23(35-31(38)26-12-6-5-11-25(26)21-8-2-1-3-9-21)14-16-27(28)32(39)37-20-24-15-17-30(33(40)41)36(24)19-22-10-4-7-13-29(22)37/h1-18H,19-20H2,(H,35,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087672 (Biphenyl-2-carboxylic acid [4-(3-dimethylaminometh...) Show SMILES COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2ccc(CN(C)C)n2Cc2ccccc12 Show InChI InChI=1S/C36H34N4O3/c1-38(2)23-28-18-19-29-24-40(33-16-10-7-13-27(33)22-39(28)29)36(42)26-17-20-32(34(21-26)43-3)37-35(41)31-15-9-8-14-30(31)25-11-5-4-6-12-25/h4-21H,22-24H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471879 (CHEMBL135309) Show SMILES Cc1nc(C)c2ccc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1 Show InChI InChI=1S/C23H19N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-12H,13H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087673 (Biphenyl-2-carboxylic acid {3-methoxy-4-[3-(4-meth...) Show SMILES COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc12 Show InChI InChI=1S/C39H39N5O3/c1-41-20-22-42(23-21-41)26-31-17-18-32-27-44(36-15-9-6-12-29(36)25-43(31)32)39(46)35-19-16-30(24-37(35)47-2)40-38(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,24H,20-23,25-27H2,1-2H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087666 (Biphenyl-2-carboxylic acid [3-chloro-4-(3-dimethyl...) Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C35H31ClN4O2/c1-38(2)22-27-17-18-28-23-40(33-15-9-6-12-25(33)21-39(27)28)35(42)31-19-16-26(20-32(31)36)37-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20H,21-23H2,1-2H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087665 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C40H38ClN5O3/c1-43(2)30-20-22-44(23-21-30)40(49)37-19-17-31-26-46(36-15-9-6-12-28(36)25-45(31)37)39(48)34-18-16-29(24-35(34)41)42-38(47)33-14-8-7-13-32(33)27-10-4-3-5-11-27/h3-19,24,30H,20-23,25-26H2,1-2H3,(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087669 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C38H34ClN5O3/c1-41-19-21-42(22-20-41)38(47)35-18-16-29-25-44(34-14-8-5-11-27(34)24-43(29)35)37(46)32-17-15-28(23-33(32)39)40-36(45)31-13-7-6-12-30(31)26-9-3-2-4-10-26/h2-18,23H,19-22,24-25H2,1H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087668 (10-[2-Chloro-4-(5-fluoro-2-methyl-benzoylamino)-be...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(O)=O)n3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C28H21ClFN3O4/c1-16-6-7-18(30)12-22(16)26(34)31-19-8-10-21(23(29)13-19)27(35)33-15-20-9-11-25(28(36)37)32(20)14-17-4-2-3-5-24(17)33/h2-13H,14-15H2,1H3,(H,31,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087671 (Biphenyl-2-carboxylic acid [4-(3-dimethylaminometh...) Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3O)c3ccccc3Cn12 Show InChI InChI=1S/C35H32N4O3/c1-37(2)22-27-17-18-28-23-39(32-15-9-6-12-25(32)21-38(27)28)35(42)31-19-16-26(20-33(31)40)36-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20,40H,21-23H2,1-2H3,(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair