Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'seyer' and Initial = 'r'   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221813 (CHEMBL394602 | HO-LVA) Show SMILES [#6]-[#7](-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6]-c1ccc(-[#8])cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 384-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221813 (CHEMBL394602 | HO-LVA) Show SMILES [#6]-[#7](-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6]-c1ccc(-[#8])cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)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)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES [#6]-[#6]-1-[#6]C([#6])([#6])[#7]=[#6]-2-[#6]-1-[#6]-[#6]-1=[#6](-c3cc4-[#6](-[#6])-[#6]C([#6])([#6])[#7]-c4c(c3-[#8]-[#6]-1-[#6]-2S([#8-])(=O)=O)S([#8-])(=O)=O)-c1c(Cl)c(-[#16]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#7](-[#6]-2)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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])-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c(Cl)c(Cl)c1-[#6](-[#8-])=O |c:6,t:11| Show InChI InChI=1S/C94H122Cl3N17O23S3/c1-48-44-93(3,4)110-77-56(48)41-58-71(59-42-57-49(2)45-94(5,6)111-78(57)83(140(134,135)136)80(59)137-79(58)82(77)139(131,132)133)72-73(91(129)130)74(95)76(97)81(75(72)96)138-47-68(119)104-36-15-9-12-21-70(121)114(64(84(101)122)20-13-14-35-98)89(127)53-34-38-113(46-53)90(128)61(19-16-37-105-92(102)103)107-87(125)63(43-67(100)118)108-85(123)60(31-32-66(99)117)106-86(124)62(39-51-17-10-8-11-18-51)109-88(126)65(40-52-24-29-55(116)30-25-52)112(7)69(120)33-26-50-22-27-54(115)28-23-50/h8,10-11,17-18,22-25,27-30,41,48-49,53,57,60-65,80,83,110,115-116H,9,12-16,19-21,26,31-40,42-47,98H2,1-7H3,(H2,99,117)(H2,100,118)(H2,101,122)(H,104,119)(H,106,124)(H,107,125)(H,108,123)(H,109,126)(H,129,130)(H4,102,103,105)(H,131,132,133)(H,134,135,136)/p-3/t48?,49?,53-,57?,60-,61-,62-,63-,64-,65+,80?,83?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038601 (4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038602 (4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038603 (3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038603 (3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075725 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)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)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50166224 (CHEMBL410567 | Vasopressin Analogue) Show SMILES COc1ccc(C[C@@H](NC(=O)CCCc2ccc(cc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 Show InChI InChI=1S/C64H85IN20O13/c1-98-41-23-18-38(19-24-41)33-47(76-54(89)15-5-11-36-16-21-40(22-17-36)83-84-73)58(93)81-48(32-37-9-3-2-4-10-37)59(94)77-44(25-27-52(66)87)57(92)82-49(35-53(67)88)60(95)79-45(13-7-29-75-64(71)72)62(97)85-30-8-14-50(85)61(96)78-43(12-6-28-74-63(69)70)56(91)80-46(55(68)90)34-39-20-26-51(86)42(65)31-39/h2-4,9-10,16-24,26,31,43-50,86H,5-8,11-15,25,27-30,32-35H2,1H3,(H2,66,87)(H2,67,88)(H2,68,90)(H,76,89)(H,77,94)(H,78,96)(H,79,95)(H,80,91)(H,81,93)(H,82,92)(H4,69,70,74)(H4,71,72,75)/t43-,44-,45-,46-,47+,48-,49-,50+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against rat vasopressin V1a receptor				J Med Chem 48: 3379-88 (2005) Article DOI: 10.1021/jm040871+ BindingDB Entry DOI: 10.7270/Q2SJ1MDG
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038599 (4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038602 (4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221813 (CHEMBL394602 | HO-LVA) Show SMILES [#6]-[#7](-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6]-c1ccc(-[#8])cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221813 (CHEMBL394602 | HO-LVA) Show SMILES [#6]-[#7](-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6]-c1ccc(-[#8])cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 384-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075728 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-49-52(37-44)75(107-73(49)105)50-27-24-47(92)38-60(50)106-61-39-48(93)25-28-51(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038604 (3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221813 (CHEMBL394602 | HO-LVA) Show SMILES [#6]-[#7](-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6]-c1ccc(-[#8])cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50103475 (Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe(I,N3)-NH2 | Pm...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C57H84IN15O13S2/c1-5-31(2)47(69-52(81)40(26-33-13-16-35(86-4)17-14-33)64-46(77)29-57(20-7-6-8-21-57)88-24-19-44(60)75)54(83)70-48(32(3)74)55(84)67-41(28-45(61)76)51(80)68-42(30-87)56(85)73-23-10-12-43(73)53(82)65-38(11-9-22-59)50(79)66-39(49(62)78)27-34-15-18-37(71-72-63)36(58)25-34/h13-18,25,31-32,38-43,47-48,74,87H,5-12,19-24,26-30,59H2,1-4H3,(H2,60,75)(H2,61,76)(H2,62,78)(H,64,77)(H,65,82)(H,66,79)(H,67,84)(H,68,80)(H,69,81)(H,70,83)/t31-,32+,38?,39?,40-,41-,42-,43?,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards OT receptor in CHO cells expressing the human OT receptor				J Med Chem 44: 3022-30 (2001) BindingDB Entry DOI: 10.7270/Q29S1Q9F
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038604 (3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038604 (3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038599 (4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50038601 (4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Inhibition constant for V1a receptor of rat liver membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 384-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50103477 (CHEMBL386180 | Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C56H82IN15O13S2/c1-4-30(2)46(68-51(81)39(25-32-12-15-34(74)16-13-32)63-45(77)28-56(19-6-5-7-20-56)87-23-18-43(59)75)53(83)69-47(31(3)73)54(84)66-40(27-44(60)76)50(80)67-41(29-86)55(85)72-22-9-11-42(72)52(82)64-37(10-8-21-58)49(79)65-38(48(61)78)26-33-14-17-36(70-71-62)35(57)24-33/h12-17,24,30-31,37-42,46-47,73-74,86H,4-11,18-23,25-29,58H2,1-3H3,(H2,59,75)(H2,60,76)(H2,61,78)(H,63,77)(H,64,82)(H,65,79)(H,66,84)(H,67,80)(H,68,81)(H,69,83)/t30-,31+,37?,38?,39-,40-,41-,42?,46-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards OT receptor in CHO cells expressing the human OT receptor				J Med Chem 44: 3022-30 (2001) BindingDB Entry DOI: 10.7270/Q29S1Q9F
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50038604 (3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant at OT receptor of rat mamary glands				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50166219 (CHEMBL264101 | Vasopressin Analogue) Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O Show InChI InChI=1S/C68H84IN17O13/c69-45-33-42(24-28-54(45)87)36-49(59(72)92)83-60(93)46(19-10-30-77-67(73)74)81-65(98)53-21-12-32-86(53)66(99)48(20-11-31-78-68(75)76)82-64(97)52(38-56(71)89)85-61(94)47(27-29-55(70)88)80-63(96)51(34-39-13-4-1-5-14-39)84-62(95)50(79-57(90)37-40-15-6-2-7-16-40)35-41-22-25-44(26-23-41)58(91)43-17-8-3-9-18-43/h1-9,13-18,22-26,28,33,46-53,87H,10-12,19-21,27,29-32,34-38H2,(H2,70,88)(H2,71,89)(H2,72,92)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,93)(H,84,95)(H,85,94)(H4,73,74,77)(H4,75,76,78)/t46-,47-,48-,49-,50+,51-,52-,53+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1a receptor expressed in CHO cells				J Med Chem 48: 3379-88 (2005) Article DOI: 10.1021/jm040871+ BindingDB Entry DOI: 10.7270/Q2SJ1MDG
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50221815 (4-({[(6-{N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S...) Show SMILES [#6]-[#6]-1-[#6]C([#6])([#6])[#7]=[#6]-2-[#6]-1-[#6]-[#6]-1=[#6](-c3cc4-[#6](-[#6])-[#6]C([#6])([#6])[#7]-c4c(c3-[#8]-[#6]-1-[#6]-2S([#8-])(=O)=O)S([#8-])(=O)=O)-c1c(Cl)c(-[#16]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#7](-[#6]-2)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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])-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c(Cl)c(Cl)c1-[#6](-[#8-])=O |c:6,t:11| Show InChI InChI=1S/C94H122Cl3N17O23S3/c1-48-44-93(3,4)110-77-56(48)41-58-71(59-42-57-49(2)45-94(5,6)111-78(57)83(140(134,135)136)80(59)137-79(58)82(77)139(131,132)133)72-73(91(129)130)74(95)76(97)81(75(72)96)138-47-68(119)104-36-15-9-12-21-70(121)114(64(84(101)122)20-13-14-35-98)89(127)53-34-38-113(46-53)90(128)61(19-16-37-105-92(102)103)107-87(125)63(43-67(100)118)108-85(123)60(31-32-66(99)117)106-86(124)62(39-51-17-10-8-11-18-51)109-88(126)65(40-52-24-29-55(116)30-25-52)112(7)69(120)33-26-50-22-27-54(115)28-23-50/h8,10-11,17-18,22-25,27-30,41,48-49,53,57,60-65,80,83,110,115-116H,9,12-16,19-21,26,31-40,42-47,98H2,1-7H3,(H2,99,117)(H2,100,118)(H2,101,122)(H,104,119)(H,106,124)(H,107,125)(H,108,123)(H,109,126)(H,129,130)(H4,102,103,105)(H,131,132,133)(H,134,135,136)/p-3/t48?,49?,53-,57?,60-,61-,62-,63-,64-,65+,80?,83?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)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)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075727 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Rhm)-Pro...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=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)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50038603 (3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant at OT receptor of rat mamary glands				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50114031 ((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 384-well plate membranes				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50038601 (4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant at V2 receptor of rat kidney membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50221816 (5-({N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S)-1-[...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@@H](C1)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)CCc1ccc(O)cc1 |wU:14.14,55.59,2.1,34.35,wD:42.43,60.62,25.26,(1.76,-36.72,;1.76,-38.26,;3.1,-39.04,;3.1,-40.58,;4.44,-41.34,;4.43,-42.88,;5.77,-43.65,;7.1,-42.87,;8.44,-43.65,;7.1,-41.33,;5.77,-40.57,;4.43,-38.26,;4.43,-36.72,;5.77,-39.03,;7.11,-38.26,;7.1,-36.72,;8.44,-35.95,;9.77,-36.71,;11.1,-35.95,;11.1,-34.4,;9.76,-33.63,;8.43,-34.41,;8.44,-39.03,;8.44,-40.57,;9.78,-38.25,;11.11,-39.02,;11.11,-40.57,;12.44,-41.33,;12.45,-42.87,;13.78,-43.64,;11.11,-43.65,;12.44,-38.25,;12.44,-36.71,;13.78,-39.02,;15.11,-38.24,;15.11,-36.7,;16.44,-35.93,;17.78,-36.7,;16.44,-34.39,;16.45,-39.02,;16.45,-40.56,;17.78,-38.24,;19.12,-39.01,;19.12,-40.55,;20.46,-41.32,;20.46,-42.86,;21.79,-43.63,;21.79,-45.17,;23.13,-45.94,;20.47,-45.94,;20.45,-38.24,;20.45,-36.69,;21.78,-39,;22.55,-40.34,;24.06,-40.01,;24.22,-38.47,;22.81,-37.86,;25.56,-37.7,;25.56,-36.16,;26.9,-38.47,;26.9,-40.01,;25.56,-40.79,;25.56,-42.33,;24.23,-43.09,;24.23,-44.63,;25.56,-45.41,;28.24,-40.79,;28.23,-42.33,;29.57,-40.02,;28.23,-37.71,;29.56,-38.48,;28.23,-36.17,;29.56,-35.41,;29.56,-33.87,;28.23,-33.12,;26.91,-33.87,;26.9,-35.4,;25.41,-33.48,;24.33,-34.56,;25.01,-32,;28.23,-31.58,;29.56,-30.81,;30.88,-31.57,;32.21,-30.81,;32.21,-29.27,;33.54,-28.51,;30.88,-28.51,;29.56,-29.27,;28.23,-28.5,;26.9,-29.27,;25.58,-28.5,;24.25,-29.27,;22.92,-28.5,;24.25,-30.8,;25.57,-31.57,;26.9,-30.81,;25.58,-26.97,;25.56,-25.44,;27.11,-26.96,;24.04,-26.97,;30.88,-26.98,;30.87,-25.45,;29.35,-26.98,;32.42,-26.97,;.44,-39.04,;.44,-40.58,;-.9,-38.27,;-2.23,-39.05,;-3.59,-38.27,;-4.93,-39.05,;-6.25,-38.27,;-6.24,-36.73,;-7.58,-35.96,;-4.92,-35.96,;-3.58,-36.72,)| Show InChI InChI=1S/C75H88N16O22S2/c1-89(60(96)29-16-39-12-18-44(92)19-13-39)57(35-41-14-20-45(93)21-15-41)70(101)88-54(34-40-8-3-2-4-9-40)68(99)85-52(27-28-58(79)94)67(98)87-55(37-59(80)95)69(100)86-53(10-7-32-84-75(82)83)73(104)90-33-30-43(38-90)72(103)91(56(66(81)97)11-5-6-31-76)71(102)42-17-22-46(49(36-42)74(105)106)61-47-23-25-50(77)64(114(107,108)109)62(47)113-63-48(61)24-26-51(78)65(63)115(110,111)112/h2-4,8-9,12-15,17-26,36,43,52-57,77,92-93H,5-7,10-11,16,27-35,37-38,76,78H2,1H3,(H2,79,94)(H2,80,95)(H2,81,97)(H,85,99)(H,86,100)(H,87,98)(H,88,101)(H,105,106)(H4,82,83,84)(H,107,108,109)(H,110,111,112)/p-2/t43-,52-,53-,54-,55-,56-,57+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50221816 (5-({N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S)-1-[...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@@H](C1)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)CCc1ccc(O)cc1 |wU:14.14,55.59,2.1,34.35,wD:42.43,60.62,25.26,(1.76,-36.72,;1.76,-38.26,;3.1,-39.04,;3.1,-40.58,;4.44,-41.34,;4.43,-42.88,;5.77,-43.65,;7.1,-42.87,;8.44,-43.65,;7.1,-41.33,;5.77,-40.57,;4.43,-38.26,;4.43,-36.72,;5.77,-39.03,;7.11,-38.26,;7.1,-36.72,;8.44,-35.95,;9.77,-36.71,;11.1,-35.95,;11.1,-34.4,;9.76,-33.63,;8.43,-34.41,;8.44,-39.03,;8.44,-40.57,;9.78,-38.25,;11.11,-39.02,;11.11,-40.57,;12.44,-41.33,;12.45,-42.87,;13.78,-43.64,;11.11,-43.65,;12.44,-38.25,;12.44,-36.71,;13.78,-39.02,;15.11,-38.24,;15.11,-36.7,;16.44,-35.93,;17.78,-36.7,;16.44,-34.39,;16.45,-39.02,;16.45,-40.56,;17.78,-38.24,;19.12,-39.01,;19.12,-40.55,;20.46,-41.32,;20.46,-42.86,;21.79,-43.63,;21.79,-45.17,;23.13,-45.94,;20.47,-45.94,;20.45,-38.24,;20.45,-36.69,;21.78,-39,;22.55,-40.34,;24.06,-40.01,;24.22,-38.47,;22.81,-37.86,;25.56,-37.7,;25.56,-36.16,;26.9,-38.47,;26.9,-40.01,;25.56,-40.79,;25.56,-42.33,;24.23,-43.09,;24.23,-44.63,;25.56,-45.41,;28.24,-40.79,;28.23,-42.33,;29.57,-40.02,;28.23,-37.71,;29.56,-38.48,;28.23,-36.17,;29.56,-35.41,;29.56,-33.87,;28.23,-33.12,;26.91,-33.87,;26.9,-35.4,;25.41,-33.48,;24.33,-34.56,;25.01,-32,;28.23,-31.58,;29.56,-30.81,;30.88,-31.57,;32.21,-30.81,;32.21,-29.27,;33.54,-28.51,;30.88,-28.51,;29.56,-29.27,;28.23,-28.5,;26.9,-29.27,;25.58,-28.5,;24.25,-29.27,;22.92,-28.5,;24.25,-30.8,;25.57,-31.57,;26.9,-30.81,;25.58,-26.97,;25.56,-25.44,;27.11,-26.96,;24.04,-26.97,;30.88,-26.98,;30.87,-25.45,;29.35,-26.98,;32.42,-26.97,;.44,-39.04,;.44,-40.58,;-.9,-38.27,;-2.23,-39.05,;-3.59,-38.27,;-4.93,-39.05,;-6.25,-38.27,;-6.24,-36.73,;-7.58,-35.96,;-4.92,-35.96,;-3.58,-36.72,)| Show InChI InChI=1S/C75H88N16O22S2/c1-89(60(96)29-16-39-12-18-44(92)19-13-39)57(35-41-14-20-45(93)21-15-41)70(101)88-54(34-40-8-3-2-4-9-40)68(99)85-52(27-28-58(79)94)67(98)87-55(37-59(80)95)69(100)86-53(10-7-32-84-75(82)83)73(104)90-33-30-43(38-90)72(103)91(56(66(81)97)11-5-6-31-76)71(102)42-17-22-46(49(36-42)74(105)106)61-47-23-25-50(77)64(114(107,108)109)62(47)113-63-48(61)24-26-51(78)65(63)115(110,111)112/h2-4,8-9,12-15,17-26,36,43,52-57,77,92-93H,5-7,10-11,16,27-35,37-38,76,78H2,1H3,(H2,79,94)(H2,80,95)(H2,81,97)(H,85,99)(H,86,100)(H,87,98)(H,88,101)(H,105,106)(H4,82,83,84)(H,107,108,109)(H,110,111,112)/p-2/t43-,52-,53-,54-,55-,56-,57+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells				J Med Chem 50: 4976-85 (2007) Article DOI: 10.1021/jm061404q BindingDB Entry DOI: 10.7270/Q24X58NW
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50103478 (CHEMBL406670 | Pmp-Tyr(Me)-Ile-Thr-Asn-Cys-Pro-Orn...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C54H80IN15O13S2/c1-5-29(2)45(67-51(80)38(23-31-11-14-33(83-4)15-12-31)63-43(74)26-54(18-7-6-8-19-54)85-21-17-41(57)72)52(81)68-46(30(3)71)53(82)65-39(25-42(58)73)50(79)66-40(28-84)48(77)61-27-44(75)62-36(10-9-20-56)49(78)64-37(47(59)76)24-32-13-16-35(69-70-60)34(55)22-32/h11-16,22,29-30,36-40,45-46,71,84H,5-10,17-21,23-28,56H2,1-4H3,(H2,57,72)(H2,58,73)(H2,59,76)(H,61,77)(H,62,75)(H,63,74)(H,64,78)(H,65,82)(H,66,79)(H,67,80)(H,68,81)/t29-,30+,36?,37?,38-,39-,40-,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards OT receptor in CHO cells expressing the human OT receptor				J Med Chem 44: 3022-30 (2001) BindingDB Entry DOI: 10.7270/Q29S1Q9F
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50166225 (CHEMBL410401 | Vasopressin Analogue) Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O Show InChI InChI=1S/C68H84IN17O13/c69-45-33-42(24-28-54(45)87)36-49(59(72)92)83-60(93)46(19-10-30-77-67(73)74)81-65(98)53-21-12-32-86(53)66(99)48(20-11-31-78-68(75)76)82-64(97)52(38-56(71)89)85-61(94)47(27-29-55(70)88)80-63(96)51(34-39-13-4-1-5-14-39)84-62(95)50(79-57(90)37-40-15-6-2-7-16-40)35-41-22-25-44(26-23-41)58(91)43-17-8-3-9-18-43/h1-9,13-18,22-26,28,33,46-53,87H,10-12,19-21,27,29-32,34-38H2,(H2,70,88)(H2,71,89)(H2,72,92)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,93)(H,84,95)(H,85,94)(H4,73,74,77)(H4,75,76,78)/t46-,47-,48-,49-,50-,51-,52-,53+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1a receptor expressed in CHO cells				J Med Chem 48: 3379-88 (2005) Article DOI: 10.1021/jm040871+ BindingDB Entry DOI: 10.7270/Q2SJ1MDG
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50038599 (4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant at V2 receptor of rat kidney membrane				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075729 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(6C-Rhm)-Pro...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=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)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50038602 (4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...) Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description Tested for inhibition constant at OT receptor of rat mamary glands				J Med Chem 37: 1841-9 (1994) BindingDB Entry DOI: 10.7270/Q2R49PST
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075723 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Flu)-Pro...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)85-55(35-42-9-3-2-4-10-42)67(99)84-54(29-30-62(77)94)66(98)86-56(40-63(78)95)71(103)89(58(12-5-6-32-76)72(104)88-34-8-13-57(88)68(100)83-53(65(79)97)11-7-33-82-74(80)81)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,100)(H,84,99)(H,85,101)(H,86,98)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [125I]- HO-LVA ligand from human Vasopressin V1b receptor in the membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair

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