Compile Data Set for Download or QSAR

Found 183 hits of ic50 for UniProtKB: P48974   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vasopressin V1a/V1b receptor (RAT)	BDBM50137948 (Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...) Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1 Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137945 (Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...) Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1 Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137953 (Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...) Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137940 (Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...) Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50291329 (8-arginine vasopressin trisulphide | CHEMBL267405) Show SMILES N[C@@H]1CSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H65N15O12S3/c47-27-22-74-76-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31+,32+,33+,34-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the TYR(Me)2 arginine-vasopressin as radioligand at 0.3 nM in A7r5 cells				Bioorg Med Chem Lett 7: 719-724 (1997) Article DOI: 10.1016/S0960-894X(97)00050-4 BindingDB Entry DOI: 10.7270/Q2QC03HW
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM35667 (AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the TYR(Me)2 arginine-vasopressin as radioligand at 0.3 nM in A7r5 cells				Bioorg Med Chem Lett 7: 719-724 (1997) Article DOI: 10.1016/S0960-894X(97)00050-4 BindingDB Entry DOI: 10.7270/Q2QC03HW
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137951 (Biphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino...) Show SMILES CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137949 (Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...) Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137946 (Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...) Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137942 (Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...) Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137956 (Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...) Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043204 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:37| Show InChI InChI=1S/C34H47N5O5S/c1-23(2)29(38-28(40)17-26-19-35-22-37-26)30(41)36-20-34(42)18-25-10-12-33(34,31(25,3)4)21-45(43,44)39-15-13-32(14-16-39)11-9-24-7-5-6-8-27(24)32/h5-9,11,19,22-23,25,29,42H,10,12-18,20-21H2,1-4H3,(H,35,37)(H,36,41)(H,38,40)/t25-,29+,33+,34+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043080 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H41N3O6S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(30-26(32)34)10-17-39(3,35)36)19-40(37,38)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,24,33H,8-19H2,1-3H3,(H,30,34)/t21-,24+,29-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043141 (5-(3-amino-1H-1,2,4-triazol-5-ylaminomethyl)-3-[7,...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H40N8O4S/c1-27(2)19-8-10-29(27,22(15-19)37-23(38)21(32-26(37)39)16-31-25-33-24(30)34-35-25)17-42(40,41)36-13-11-28(12-14-36)9-7-18-5-3-4-6-20(18)28/h3-6,19,22,38H,7-17H2,1-2H3,(H,32,39)(H4,30,31,33,34,35)/t19-,22+,29-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043114 (3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,23,35H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,23+,29-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137941 (Biphenyl-2-carboxylic acid {4-[8-(2-pyrrolidin-1-y...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCCC2)c2sccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C33H34N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)34-27-15-13-26(14-16-27)32(39)37-21-8-20-36(33-30(37)17-24-40-33)23-22-35-18-6-7-19-35/h1-5,9-17,24H,6-8,18-23H2,(H,34,38)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137943 (Biphenyl-2-carboxylic acid (4-{8-[2-(4-methyl-pipe...) Show SMILES CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1 Show InChI InChI=1S/C34H37N5O2S/c1-36-19-21-37(22-20-36)23-24-38-17-7-18-39(31-16-25-42-34(31)38)33(41)27-12-14-28(15-13-27)35-32(40)30-11-6-5-10-29(30)26-8-3-2-4-9-26/h2-6,8-16,25H,7,17-24H2,1H3,(H,35,40)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50204026 (CHEMBL369150) Show SMILES Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043180 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:28| Show InChI InChI=1S/C29H43N3O4S/c1-20(2)24(30)25(33)31-18-29(34)17-22-10-12-28(29,26(22,3)4)19-37(35,36)32-15-13-27(14-16-32)11-9-21-7-5-6-8-23(21)27/h5-9,11,20,22,24,34H,10,12-19,30H2,1-4H3,(H,31,33)/t22-,24+,28+,29+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043090 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 |c:19| Show InChI InChI=1S/C29H42N4O5S/c1-26(2)21-10-12-28(26,29(36,17-21)18-32-25(35)23(30)7-8-24(31)34)19-39(37,38)33-15-13-27(14-16-33)11-9-20-5-3-4-6-22(20)27/h3-6,9,11,21,23,36H,7-8,10,12-19,30H2,1-2H3,(H2,31,34)(H,32,35)/t21-,23+,28+,29+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043055 (2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(O)=O)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C28H37N3O6S/c1-26(2)20-8-10-28(26,22(15-20)31-23(32)16-29(25(31)35)17-24(33)34)18-38(36,37)30-13-11-27(12-14-30)9-7-19-5-3-4-6-21(19)27/h3-6,16,20,22,32H,7-15,17-18H2,1-2H3,(H,33,34)/t20-,22+,28-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043155 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C Show InChI InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-36-22-39(25)3/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043189 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CC[N+]([O-])=O Show InChI InChI=1S/C27H40N4O5S/c1-25(2)20-8-11-27(25,23(17-20)29-24(32)22(28)9-14-31(33)34)18-37(35,36)30-15-12-26(13-16-30)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3,(H,29,32)/t20-,22?,23+,27-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043075 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C Show InChI InChI=1S/C29H44N4O4S/c1-27(2)22-10-12-29(27,24(17-22)31-25(34)18-30-26(35)19-32(3)4)20-38(36,37)33-15-13-28(14-16-33)11-9-21-7-5-6-8-23(21)28/h5-8,22,24H,9-20H2,1-4H3,(H,30,35)(H,31,34)/t22-,24+,29-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043117 (1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCNC1=O Show InChI InChI=1S/C26H37N3O3S/c1-24(2)20-8-10-26(24,22(17-20)29-16-13-27-23(29)30)18-33(31,32)28-14-11-25(12-15-28)9-7-19-5-3-4-6-21(19)25/h3-6,20,22H,7-18H2,1-2H3,(H,27,30)/t20-,22+,26-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043088 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cccnc2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C32H40N4O4S/c1-30(2)24-10-12-32(30,27(19-24)36-28(37)26(34-29(36)38)18-22-6-5-15-33-20-22)21-41(39,40)35-16-13-31(14-17-35)11-9-23-7-3-4-8-25(23)31/h3-8,15,20,24,27,37H,9-14,16-19,21H2,1-2H3,(H,34,38)/t24-,27+,32-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137954 (Biphenyl-2-carboxylic acid {4-[8-(2-dimethylamino-...) Show SMILES CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12 Show InChI InChI=1S/C31H32N4O2S/c1-33(2)20-21-34-18-8-19-35(28-17-22-38-31(28)34)30(37)24-13-15-25(16-14-24)32-29(36)27-12-7-6-11-26(27)23-9-4-3-5-10-23/h3-7,9-17,22H,8,18-21H2,1-2H3,(H,32,36)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043106 (CHEMBL335886 | methyl 3-[2-hydroxy-7,7-dimethyl-1-...) Show SMILES COC(=O)[N+]12CCC(CC1)C(C2)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |wU:22.25,16.18,wD:16.17,19.21,c:37,(14.38,-20.7,;15.88,-20.3,;16.28,-18.82,;17.78,-18.43,;15.2,-17.72,;13.85,-16.95,;14.95,-15.85,;13.61,-15.08,;15.22,-15.06,;15.98,-16.4,;12.91,-16.37,;13.66,-17.71,;11.36,-16.37,;10.58,-17.7,;10.6,-15.02,;9.06,-15.02,;8.29,-13.69,;7.19,-14.79,;9.82,-13.66,;10.58,-12.33,;9.78,-11.02,;8.25,-11.04,;7.51,-12.37,;6.18,-11.6,;6.18,-10.05,;4.64,-10.05,;7.72,-10.05,;6.2,-8.51,;4.86,-7.72,;4.87,-6.2,;6.22,-5.43,;7.54,-6.2,;7.54,-7.75,;7.12,-4.17,;6.2,-2.93,;4.73,-3.42,;3.4,-2.65,;2.07,-3.42,;2.07,-4.96,;3.4,-5.74,;4.75,-4.96,;8.82,-11.57,;9.57,-10.22,;9.62,-12.89,)| Show InChI InChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043116 (1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1cnc[nH]1)C2 |c:19| Show InChI InChI=1S/C30H40N4O4S/c1-27(2)23-8-10-29(27,30(36,18-23)11-14-32-26(35)17-24-19-31-21-33-24)20-39(37,38)34-15-12-28(13-16-34)9-7-22-5-3-4-6-25(22)28/h3-7,9,19,21,23,36H,8,10-18,20H2,1-2H3,(H,31,33)(H,32,35)/t23-,29+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043059 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cnc[nH]1)C2 |c:19| Show InChI InChI=1S/C29H38N4O4S/c1-26(2)22-8-10-28(26,29(35,16-22)18-31-25(34)15-23-17-30-20-32-23)19-38(36,37)33-13-11-27(12-14-33)9-7-21-5-3-4-6-24(21)27/h3-7,9,17,20,22,35H,8,10-16,18-19H2,1-2H3,(H,30,32)(H,31,34)/t22-,28+,29+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043145 (3N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CCCNC1)C2 |c:19| Show InChI InChI=1S/C30H43N3O4S/c1-27(2)24-10-12-29(27,30(35,18-24)20-32-26(34)23-7-5-15-31-19-23)21-38(36,37)33-16-13-28(14-17-33)11-9-22-6-3-4-8-25(22)28/h3-4,6,8-9,11,23-24,31,35H,5,7,10,12-21H2,1-2H3,(H,32,34)/t23?,24-,29+,30+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043143 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1)C2 |c:19| Show InChI InChI=1S/C34H47N5O7S2/c1-31(2)25-9-12-33(31,22-48(45,46)39-15-13-32(14-16-39)11-8-24-6-4-5-7-27(24)32)34(42,19-25)21-36-30(41)28(10-17-47(3,43)44)38-29(40)18-26-20-35-23-37-26/h4-8,11,20,23,25,28,42H,9-10,12-19,21-22H2,1-3H3,(H,35,37)(H,36,41)(H,38,40)/t25-,28?,33+,34+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043120 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 Show InChI InChI=1S/C32H46N4O5S2/c1-30(2)25-10-12-32(30,28(19-25)36(17-18-42(4,38)39)29(37)20-26-21-34(3)23-33-26)22-43(40,41)35-15-13-31(14-16-35)11-9-24-7-5-6-8-27(24)31/h5-8,21,23,25,28H,9-20,22H2,1-4H3/t25-,28+,32-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043093 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2cnc[nH]2)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C30H39N5O4S/c1-28(2)22-8-10-30(28,25(15-22)35-26(36)18-33(27(35)37)17-23-16-31-20-32-23)19-40(38,39)34-13-11-29(12-14-34)9-7-21-5-3-4-6-24(21)29/h3-6,16,18,20,22,25,36H,7-15,17,19H2,1-2H3,(H,31,32)/t22-,25+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043077 (2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(N)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C28H40N4O6S2/c1-26(2)20-8-11-28(26,23(17-20)32-24(33)22(30-25(32)34)9-16-39(29,35)36)18-40(37,38)31-14-12-27(13-15-31)10-7-19-5-3-4-6-21(19)27/h3-6,20,23,33H,7-18H2,1-2H3,(H,30,34)(H2,29,35,36)/t20-,23+,28-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043118 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043118 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043118 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043092 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:29| Show InChI InChI=1S/C30H45N3O4S/c1-21(2)17-25(31)26(34)32-19-30(35)18-23-10-12-29(30,27(23,3)4)20-38(36,37)33-15-13-28(14-16-33)11-9-22-7-5-6-8-24(22)28/h5-9,11,21,23,25,35H,10,12-20,31H2,1-4H3,(H,32,34)/t23-,25+,29+,30+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043102 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN Show InChI InChI=1S/C30H46N4O6S2/c1-28(2)22-9-12-30(28,25(18-22)33-27(36)24(32-26(35)19-31)10-17-41(3,37)38)20-42(39,40)34-15-13-29(14-16-34)11-8-21-6-4-5-7-23(21)29/h4-7,22,24-25H,8-20,31H2,1-3H3,(H,32,35)(H,33,36)/t22-,24?,25+,30-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043186 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1 Show InChI InChI=1S/C33H47N5O6S2/c1-31(2)24-9-12-33(31,21-46(43,44)38-15-13-32(14-16-38)11-8-23-6-4-5-7-26(23)32)28(18-24)37-30(40)27(10-17-45(3,41)42)36-29(39)19-25-20-34-22-35-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)/t24-,27?,28+,33-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043136 (2N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 |wU:6.7,25.29,wD:25.30,3.3,c:19,(10.02,-8.03,;9.24,-6.7,;9.97,-5.35,;10.97,-7.47,;10.2,-6.16,;8.66,-6.17,;7.92,-7.5,;6.59,-6.73,;6.6,-5.19,;8.14,-5.19,;5.06,-5.19,;6.61,-3.65,;7.94,-2.89,;7.96,-1.34,;6.63,-.58,;5.3,-1.34,;5.28,-2.87,;7.54,.67,;6.61,1.91,;5.16,1.42,;3.81,2.19,;2.48,1.42,;2.48,-.12,;3.81,-.89,;5.16,-.12,;8.7,-8.83,;7.61,-9.92,;9.46,-10.16,;11,-10.16,;11.77,-11.49,;10.99,-12.82,;13.31,-11.5,;14.05,-12.84,;15.59,-12.84,;14.26,-12.07,;15.34,-10.97,;14.01,-10.2,;15.62,-10.18,;16.38,-11.53,;10.23,-8.8,)| Show InChI InChI=1S/C32H45N3O4S/c1-29(2)25-8-12-31(29,32(37,19-25)21-33-28(36)26-20-34-15-9-23(26)10-16-34)22-40(38,39)35-17-13-30(14-18-35)11-7-24-5-3-4-6-27(24)30/h3-7,11,23,25-26,37H,8-10,12-22H2,1-2H3,(H,33,36)/t25-,26?,31+,32+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043165 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccncc1)C2 |c:19| Show InChI InChI=1S/C31H39N3O4S/c1-28(2)25-8-12-30(28,31(36,20-25)21-33-27(35)19-23-9-15-32-16-10-23)22-39(37,38)34-17-13-29(14-18-34)11-7-24-5-3-4-6-26(24)29/h3-7,9-11,15-16,25,36H,8,12-14,17-22H2,1-2H3,(H,33,35)/t25-,30+,31+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043197 (5-aminomethyl-3-[7,7-dimethyl-1-spiro[2,3-dihydro-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CN)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C27H38N4O4S/c1-25(2)19-8-10-27(25,22(15-19)31-23(32)21(16-28)29-24(31)33)17-36(34,35)30-13-11-26(12-14-30)9-7-18-5-3-4-6-20(18)26/h3-6,19,22,32H,7-17,28H2,1-2H3,(H,29,33)/t19-,22+,27-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043060 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CCN Show InChI InChI=1S/C31H47N5O5S/c1-29(2)22-10-13-31(29,25(19-22)35-28(39)24(7-8-26(33)37)34-27(38)11-16-32)20-42(40,41)36-17-14-30(15-18-36)12-9-21-5-3-4-6-23(21)30/h3-6,22,24-25H,7-20,32H2,1-2H3,(H2,33,37)(H,34,38)(H,35,39)/t22-,24+,25+,31-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043103 (2-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CC(O)Cn2c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H39N3O5S/c1-27(2)20-8-10-29(27,24(15-20)32-25(34)23-16-21(33)17-31(23)26(32)35)18-38(36,37)30-13-11-28(12-14-30)9-7-19-5-3-4-6-22(19)28/h3-6,20-21,24,33-34H,7-18H2,1-2H3/t20-,21?,24+,29-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137950 (Biphenyl-2-carboxylic acid [4-(8-pyridin-3-ylmethy...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2cccnc2)c2sccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C33H28N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)35-27-15-13-26(14-16-27)32(39)37-20-7-19-36(33-30(37)17-21-40-33)23-24-8-6-18-34-22-24/h1-6,8-18,21-22H,7,19-20,23H2,(H,35,38)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50137947 (Biphenyl-2-carboxylic acid [4-(8-benzyl-5,6,7,8-te...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2ccccc2)c2sccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C34H29N3O2S/c38-32(30-15-8-7-14-29(30)26-12-5-2-6-13-26)35-28-18-16-27(17-19-28)33(39)37-22-9-21-36(34-31(37)20-23-40-34)24-25-10-3-1-4-11-25/h1-8,10-20,23H,9,21-22,24H2,(H,35,38)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver				J Med Chem 47: 101-9 (2003) Article DOI: 10.1021/jm030287l BindingDB Entry DOI: 10.7270/Q2TX3DT7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043086 (1N-(1H-2-imidazolyl)-2-{3-[7,7-dimethyl-1-spiro[2,...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(=O)Nc2ncc[nH]2)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C31H40N6O5S/c1-29(2)22-8-10-31(29,20-43(41,42)36-15-11-30(12-16-36)9-7-21-5-3-4-6-23(21)30)24(17-22)37-26(39)19-35(28(37)40)18-25(38)34-27-32-13-14-33-27/h3-6,13-14,19,22,24,39H,7-12,15-18,20H2,1-2H3,(H2,32,33,34,38)/t22-,24+,31-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b receptor (RAT)	BDBM50043148 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CCCn2ccnc2)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C32H43N5O4S/c1-30(2)25-9-11-32(30,27(20-25)37-28(38)21-35(29(37)39)16-5-15-34-19-14-33-23-34)22-42(40,41)36-17-12-31(13-18-36)10-8-24-6-3-4-7-26(24)31/h3-4,6-7,14,19,21,23,25,27,38H,5,8-13,15-18,20,22H2,1-2H3/t25-,27+,32-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair

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