Compile Data Set for Download or QSAR

Found 536 hits with Last Name = 'hibert' and Initial = 'm'   

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
Apelin (Homo sapiens (Human))	BDBM50009575 (CHEMBL3234446) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis				J Med Chem 57: 2908-19 (2014) Article DOI: 10.1021/jm401789v BindingDB Entry DOI: 10.7270/Q21J9C9F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50077141 (CHEMBL3416758) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C(N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C57H78N12O13S2/c1-32(70)46-54(79)65-42(30-45(59)72)51(76)67-43(56(81)69-26-10-14-44(69)53(78)62-38(13-9-25-58)49(74)63-39(48(61)73)27-34-15-19-36(71)20-16-34)31-83-84-57(23-7-4-8-24-57)47(60)55(80)66-40(29-35-17-21-37(82-2)22-18-35)50(75)64-41(52(77)68-46)28-33-11-5-3-6-12-33/h3,5-6,11-12,15-22,32,38-44,46-47,70-71H,4,7-10,13-14,23-31,58,60H2,1-2H3,(H2,59,72)(H2,61,73)(H,62,78)(H,63,74)(H,64,75)(H,65,79)(H,66,80)(H,67,76)(H,68,77)/t32-,38+,39+,40+,41+,42+,43+,44+,46+,47?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to human oxytocin receptor by radioligand binding assay				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50459408 (CHEMBL3307200) Show SMILES Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12 Show InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50077141 (CHEMBL3416758) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C(N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C57H78N12O13S2/c1-32(70)46-54(79)65-42(30-45(59)72)51(76)67-43(56(81)69-26-10-14-44(69)53(78)62-38(13-9-25-58)49(74)63-39(48(61)73)27-34-15-19-36(71)20-16-34)31-83-84-57(23-7-4-8-24-57)47(60)55(80)66-40(29-35-17-21-37(82-2)22-18-35)50(75)64-41(52(77)68-46)28-33-11-5-3-6-12-33/h3,5-6,11-12,15-22,32,38-44,46-47,70-71H,4,7-10,13-14,23-31,58,60H2,1-2H3,(H2,59,72)(H2,61,73)(H,62,78)(H,63,74)(H,64,75)(H,65,79)(H,66,80)(H,67,76)(H,68,77)/t32-,38+,39+,40+,41+,42+,43+,44+,46+,47?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM85095 (CAS_151171 | CONIVAPTAN | NSC_151171 | YM087) Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubated for 60 mins by microplate scintillation counting method				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Potency at neuronal 5-hydroxytryptamine 3 receptor in the rabbit heart				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor entirely in guinea pig ileum				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxytocin receptor (Homo sapiens (Human))	BDBM50077141 (CHEMBL3416758) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C(N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C57H78N12O13S2/c1-32(70)46-54(79)65-42(30-45(59)72)51(76)67-43(56(81)69-26-10-14-44(69)53(78)62-38(13-9-25-58)49(74)63-39(48(61)73)27-34-15-19-36(71)20-16-34)31-83-84-57(23-7-4-8-24-57)47(60)55(80)66-40(29-35-17-21-37(82-2)22-18-35)50(75)64-41(52(77)68-46)28-33-11-5-3-6-12-33/h3,5-6,11-12,15-22,32,38-44,46-47,70-71H,4,7-10,13-14,23-31,58,60H2,1-2H3,(H2,59,72)(H2,61,73)(H,62,78)(H,63,74)(H,64,75)(H,65,79)(H,66,80)(H,67,76)(H,68,77)/t32-,38+,39+,40+,41+,42+,43+,44+,46+,47?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1a receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to oxytocin receptor (unknown origin) by radioligand binding assay				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to OTR (unknown origin)				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397209 (CHEMBL2172291) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C83H100N10O17S2/c1-6-91-73-36-34-64(111(99,100)101)56-69(73)82(3,4)75(91)27-12-9-13-28-76-83(5,70-57-65(112(102,103)104)35-37-74(70)92(76)7-2)40-18-29-77(94)84-41-44-105-46-48-107-50-52-109-54-55-110-53-51-108-49-47-106-45-43-90-59-63(88-89-90)58-85-78(95)38-39-79(96)87-71-25-19-42-93(72-26-17-16-24-68(71)72)81(98)61-30-32-62(33-31-61)86-80(97)67-23-15-14-22-66(67)60-20-10-8-11-21-60/h8-17,20-24,26-28,30-37,56-57,59,71H,6-7,18-19,25,29,38-55,58H2,1-5H3,(H5-,84,85,86,87,94,95,96,97,98,99,100,101,102,103,104)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assay				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins by saturation binding assay				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Potency at neuronal 5-hydroxytryptamine 3 receptor in the rabbit heart				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397210 (CHEMBL2172290) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assay				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50459401 (CHEMBL4210854) Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt 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
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1a receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells				J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM85095 (CAS_151171 | CONIVAPTAN | NSC_151171 | YM087) Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubated for 60 mins by microplate scintillation counting method				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor of neuronal in the afferent rabbit vagus				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor of neuronal in the afferent rabbit vagus				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	3.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397215 (CHEMBL2172295) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC |(48.6,-20.67,;47.27,-21.45,;45.93,-20.68,;45.92,-19.14,;47.25,-18.37,;44.59,-21.45,;43.26,-20.69,;41.94,-21.46,;41.94,-22.99,;40.61,-23.75,;39.29,-22.97,;39.3,-21.42,;37.98,-20.64,;36.65,-21.39,;36.62,-22.93,;37.94,-23.72,;37.92,-25.26,;36.57,-26.02,;39.4,-24.87,;38.67,-26.59,;35.32,-20.6,;36.08,-19.26,;34.22,-19.5,;33.98,-21.36,;32.65,-20.58,;31.31,-21.33,;29.99,-20.54,;28.64,-21.29,;27.31,-20.5,;25.97,-21.25,;24.65,-20.47,;23.3,-21.22,;21.97,-20.44,;20.63,-21.19,;19.3,-20.4,;18,-21.14,;16.52,-20.66,;15.61,-21.92,;14.07,-21.9,;13.31,-20.56,;11.77,-20.54,;10.99,-21.87,;11.01,-19.19,;9.47,-19.18,;8.72,-17.84,;9.5,-16.52,;7.18,-17.83,;6.27,-19.07,;6.99,-20.43,;6.39,-21.83,;4.89,-22.24,;3.64,-21.35,;2.28,-22.08,;.97,-21.27,;2.24,-23.62,;.88,-24.35,;.83,-25.89,;2.16,-26.69,;2.11,-28.24,;3.43,-29.04,;4.78,-28.31,;3.38,-30.58,;2.01,-31.32,;1.97,-32.86,;3.29,-33.66,;4.65,-32.92,;4.69,-31.38,;6.04,-30.65,;7.35,-31.45,;8.7,-30.73,;8.75,-29.19,;7.42,-28.37,;6.07,-29.11,;3.51,-25.97,;3.55,-24.44,;3.58,-19.81,;2.12,-19.32,;1.81,-17.8,;2.98,-16.77,;4.45,-17.27,;4.75,-18.79,;16.53,-23.17,;18,-22.69,;40.62,-25.3,;39.29,-26.05,;39.27,-27.58,;40.61,-28.36,;41.93,-27.6,;41.94,-26.07,;43.27,-25.3,;43.27,-23.76,;44.6,-22.99,;40.61,-29.9,;41.94,-30.67,;41.94,-32.21,;39.26,-30.67,;39.26,-32.21,)| Show InChI InChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397206 (CHEMBL2172289) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50077140 (CHEMBL3416757) Show SMILES Cc1ccn(Cc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)n1 Show InChI InChI=1S/C24H24N6O/c1-16-12-18(8-9-19(16)14-29-11-10-17(2)27-29)24(31)30-15-20-13-25-28(3)23(20)26-21-6-4-5-7-22(21)30/h4-13,26H,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50307120 (5-[4-[(1,1'-Biphenyl-2-ylcarbonyl)amino]-3-methylb...) Show SMILES Cc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H27N5O2/c1-21-18-23(32(39)37-20-24-19-33-36(2)30(24)34-28-14-8-9-15-29(28)37)16-17-27(21)35-31(38)26-13-7-6-12-25(26)22-10-4-3-5-11-22/h3-19,34H,20H2,1-2H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50077140 (CHEMBL3416757) Show SMILES Cc1ccn(Cc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)n1 Show InChI InChI=1S/C24H24N6O/c1-16-12-18(8-9-19(16)14-29-11-10-17(2)27-29)24(31)30-15-20-13-25-28(3)23(20)26-21-6-4-5-7-22(21)30/h4-13,26H,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V2 receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50307117 (CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V2 receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397213 (CHEMBL2172391) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.65,-33.22,;38.86,-34.54,;39.62,-35.89,;41.16,-35.91,;41.94,-34.59,;38.82,-37.21,;39.57,-38.56,;38.78,-39.87,;37.26,-39.85,;36.57,-41.11,;37.34,-42.45,;36.56,-43.79,;37.33,-45.12,;38.86,-45.12,;39.64,-43.79,;38.88,-42.46,;39.65,-41.13,;41.19,-41.13,;40.04,-39.63,;38.31,-40.35,;39.62,-46.46,;40.95,-45.68,;40.95,-47.23,;38.86,-47.8,;37.32,-47.8,;36.55,-49.14,;35.01,-49.14,;34.25,-50.48,;32.71,-50.49,;31.93,-49.16,;31.94,-51.82,;32.7,-53.12,;34.24,-53.11,;35.22,-54.3,;34.89,-55.82,;33.49,-56.5,;33.47,-58.08,;32.14,-58.84,;34.8,-58.85,;34.8,-60.39,;36.13,-61.16,;37.46,-60.39,;38.79,-61.17,;40.13,-60.4,;40.13,-58.86,;41.46,-61.17,;41.45,-62.72,;42.78,-63.5,;44.12,-62.72,;44.12,-61.18,;42.78,-60.41,;42.8,-58.87,;44.13,-58.11,;44.13,-56.57,;42.8,-55.79,;41.45,-56.58,;41.46,-58.11,;37.48,-58.86,;36.15,-58.08,;32.1,-55.85,;30.99,-56.93,;29.5,-56.5,;29.12,-54.99,;30.24,-53.9,;31.73,-54.34,;34.93,-41.14,;34.16,-42.46,;32.63,-42.45,;31.88,-41.11,;32.65,-39.8,;34.18,-39.81,;34.96,-38.48,;36.51,-38.5,;37.29,-37.18,;30.34,-41.09,;29.58,-39.75,;28.04,-39.74,;29.55,-42.43,;28.01,-42.4,)| Show InChI InChI=1S/C62H64N6O9S2/c1-5-66(6-2)45-31-34-51-56(39-45)77-57-40-46(67(7-3)8-4)32-35-52(57)60(51)53-36-33-47(41-58(53)79(74,75)76)78(72,73)63-37-17-16-26-59(69)65-54-24-18-38-68(55-25-15-14-23-50(54)55)62(71)43-27-29-44(30-28-43)64-61(70)49-22-13-12-21-48(49)42-19-10-9-11-20-42/h9-15,19-23,25,27-36,39-41,54,63H,5-8,16-18,24,26,37-38H2,1-4H3,(H2-,64,65,69,70,71,74,75,76)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V1a receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50397219 (CHEMBL2172285) Show SMILES F[B-]1(F)n2c(CC3C=CC(CCC(=O)NCCCCCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)=[N+]13)ccc2-c1cccs1 |c:7,t:49| Show InChI InChI=1S/C40H45BF2N8O3S/c42-41(43)50-29(13-14-30(50)27-31-15-17-35(51(31)41)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-47-22-24-48(25-23-47)28-38(53)49-34-11-4-3-9-32(34)40(54)46-33-10-7-20-45-39(33)49/h3-4,7-15,17,20,26,30H,1-2,5-6,16,18-19,21-25,27-28H2,(H,44,52)(H,46,54)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M1 receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151212 (CHEMBL2368393 | difluoro(2-{[(2Z)-1-methyl-5-[2-({...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,59| Show InChI InChI=1S/C40H43BF2N8O3S/c42-41(43)50-29(13-14-30(50)27-31-15-17-35(51(31)41)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-47-22-24-48(25-23-47)28-38(53)49-34-11-4-3-9-32(34)40(54)46-33-10-7-20-45-39(33)49/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,46,54)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151218 (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73| Show InChI InChI=1S/C48H59BF2N8O9S/c50-49(51)58-37(9-10-38(58)35-39-11-13-43(59(39)49)44-8-4-34-69-44)12-14-45(60)52-16-22-63-24-26-65-28-30-67-32-33-68-31-29-66-27-25-64-23-21-55-17-19-56(20-18-55)36-46(61)57-42-7-2-1-5-40(42)48(62)54-41-6-3-15-53-47(41)57/h1-11,13,15,34-35H,12,14,16-33,36H2,(H,52,60)(H,54,62)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50397210 (CHEMBL2172290) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor of neuronal in the afferent rabbit vagus				J Med Chem 33: 1594-600 (1990) BindingDB Entry DOI: 10.7270/Q25Q4X94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC ...				J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V2 receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair

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