Found 33 hits of Enzyme Inhibition Constant Data 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 |
|---|
Oxytocin receptor
(RAT) | 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
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368134
(CHEMBL1790544)Show SMILES CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O5S/c1-4-26(2)34-40(53)48-32(19-12-22-42-48)39(52)47-31(18-11-21-41-47)37(50)45(3)33(25-28-16-9-6-10-17-28)38(51)46-23-13-20-30(46)35(49)43-29(36(54)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,49)(H,44,54)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368130
(CHEMBL1790551)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368132
(CHEMBL1790546)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368136
(CHEMBL1790547)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:42,44,53| Show InChI InChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368133
(CHEMBL1790542)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O |c:54| Show InChI InChI=1S/C40H50N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,21,25,28-32,34H,4,11-12,17-20,22-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368131
(CHEMBL1790548)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42H,4,11-13,18-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368134
(CHEMBL1790544)Show SMILES CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O5S/c1-4-26(2)34-40(53)48-32(19-12-22-42-48)39(52)47-31(18-11-21-41-47)37(50)45(3)33(25-28-16-9-6-10-17-28)38(51)46-23-13-20-30(46)35(49)43-29(36(54)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,49)(H,44,54)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368129
(CHEMBL1790543)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H52N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,25,28-32,34,41H,4,11-12,17-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368134
(CHEMBL1790544)Show SMILES CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O5S/c1-4-26(2)34-40(53)48-32(19-12-22-42-48)39(52)47-31(18-11-21-41-47)37(50)45(3)33(25-28-16-9-6-10-17-28)38(51)46-23-13-20-30(46)35(49)43-29(36(54)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,49)(H,44,54)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368135
(CHEMBL1790549)Show SMILES CC[C@@H](C)[C@@H]1N(O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O7/c1-4-26(2)34-40(54)47-32(19-12-22-42-47)39(53)46-31(18-11-21-41-46)37(51)44(3)33(25-28-16-9-6-10-17-28)38(52)45-23-13-20-30(45)35(49)43-29(36(50)48(34)55)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42,55H,4,11-13,18-25H2,1-3H3,(H,43,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368136
(CHEMBL1790547)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:42,44,53| Show InChI InChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368132
(CHEMBL1790546)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368130
(CHEMBL1790551)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368136
(CHEMBL1790547)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:42,44,53| Show InChI InChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368132
(CHEMBL1790546)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368130
(CHEMBL1790551)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368131
(CHEMBL1790548)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42H,4,11-13,18-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368131
(CHEMBL1790548)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42H,4,11-13,18-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368133
(CHEMBL1790542)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O |c:54| Show InChI InChI=1S/C40H50N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,21,25,28-32,34H,4,11-12,17-20,22-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368135
(CHEMBL1790549)Show SMILES CC[C@@H](C)[C@@H]1N(O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O7/c1-4-26(2)34-40(54)47-32(19-12-22-42-47)39(53)46-31(18-11-21-41-46)37(51)44(3)33(25-28-16-9-6-10-17-28)38(52)45-23-13-20-30(45)35(49)43-29(36(50)48(34)55)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42,55H,4,11-13,18-25H2,1-3H3,(H,43,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368138
(CHEMBL1790552)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O Show InChI InChI=1S/C42H58N8O6/c1-6-28(2)36-42(56)50-34(22-14-24-46(50)4)41(55)49-33(21-13-23-45(49)3)39(53)47(5)35(27-30-18-11-8-12-19-30)40(54)48-25-15-20-32(48)38(52)43-31(37(51)44-36)26-29-16-9-7-10-17-29/h7-12,16-19,28,31-36H,6,13-15,20-27H2,1-5H3,(H,43,52)(H,44,51)/t28-,31-,32+,33+,34-,35-,36+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368138
(CHEMBL1790552)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O Show InChI InChI=1S/C42H58N8O6/c1-6-28(2)36-42(56)50-34(22-14-24-46(50)4)41(55)49-33(21-13-23-45(49)3)39(53)47(5)35(27-30-18-11-8-12-19-30)40(54)48-25-15-20-32(48)38(52)43-31(37(51)44-36)26-29-16-9-7-10-17-29/h7-12,16-19,28,31-36H,6,13-15,20-27H2,1-5H3,(H,43,52)(H,44,51)/t28-,31-,32+,33+,34-,35-,36+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368135
(CHEMBL1790549)Show SMILES CC[C@@H](C)[C@@H]1N(O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H54N8O7/c1-4-26(2)34-40(54)47-32(19-12-22-42-47)39(53)46-31(18-11-21-41-46)37(51)44(3)33(25-28-16-9-6-10-17-28)38(52)45-23-13-20-30(45)35(49)43-29(36(50)48(34)55)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42,55H,4,11-13,18-25H2,1-3H3,(H,43,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368129
(CHEMBL1790543)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H52N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,25,28-32,34,41H,4,11-12,17-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368133
(CHEMBL1790542)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O |c:54| Show InChI InChI=1S/C40H50N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,21,25,28-32,34H,4,11-12,17-20,22-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368138
(CHEMBL1790552)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O Show InChI InChI=1S/C42H58N8O6/c1-6-28(2)36-42(56)50-34(22-14-24-46(50)4)41(55)49-33(21-13-23-45(49)3)39(53)47(5)35(27-30-18-11-8-12-19-30)40(54)48-25-15-20-32(48)38(52)43-31(37(51)44-36)26-29-16-9-7-10-17-29/h7-12,16-19,28,31-36H,6,13-15,20-27H2,1-5H3,(H,43,52)(H,44,51)/t28-,31-,32+,33+,34-,35-,36+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368129
(CHEMBL1790543)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O Show InChI InChI=1S/C40H52N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,25,28-32,34,41H,4,11-12,17-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368137
(CHEMBL1790550)Show SMILES CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:43,52| Show InChI InChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat kidney medulla |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50368137
(CHEMBL1790550)Show SMILES CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:43,52| Show InChI InChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against oxytocin receptor in rat uterus |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50368137
(CHEMBL1790550)Show SMILES CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:43,52| Show InChI InChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity against Vasopressin receptor in rat liver |
J Med Chem 33: 2321-3 (1990)
BindingDB Entry DOI: 10.7270/Q2F76D60 |
More data for this
Ligand-Target Pair | |
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