Found 9 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 |
|---|
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020671
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1 Show InChI InChI=1S/C46H69N11O8S2/c1-4-65-31-17-15-30(16-18-31)25-34-41(61)55-35(24-29-12-7-5-8-13-29)42(62)57-38(28(2)3)44(64)54-33(19-22-47)40(60)56-36(43(63)53-32(39(48)59)14-11-23-51-45(49)50)27-66-67-46(26-37(58)52-34)20-9-6-10-21-46/h5,7-8,12-13,15-18,28,32-36,38H,4,6,9-11,14,19-27,47H2,1-3H3,(H2,48,59)(H,52,58)(H,53,63)(H,54,64)(H,55,61)(H,56,60)(H,57,62)(H4,49,50,51)/t32-,33-,34+,35-,36-,38+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020669
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 Show InChI InChI=1S/C46H69N11O8S2/c1-4-65-31-17-15-30(16-18-31)25-34-41(61)55-35(24-29-12-7-5-8-13-29)42(62)57-38(28(2)3)44(64)54-33(19-22-47)40(60)56-36(43(63)53-32(39(48)59)14-11-23-51-45(49)50)27-66-67-46(26-37(58)52-34)20-9-6-10-21-46/h5,7-8,12-13,15-18,28,32-36,38H,4,6,9-11,14,19-27,47H2,1-3H3,(H2,48,59)(H,52,58)(H,53,63)(H,54,64)(H,55,61)(H,56,60)(H,57,62)(H4,49,50,51)/t32-,33+,34-,35+,36+,38-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020665
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C48H72N12O9S2/c1-4-69-32-17-15-31(16-18-32)25-35-43(65)58-36(24-30-12-7-5-8-13-30)44(66)60-40(29(2)3)46(68)57-34(19-22-49)42(64)59-37(28-70-71-48(26-39(62)55-35)20-9-6-10-21-48)45(67)56-33(14-11-23-53-47(51)52)41(63)54-27-38(50)61/h5,7-8,12-13,15-18,29,33-37,40H,4,6,9-11,14,19-28,49H2,1-3H3,(H2,50,61)(H,54,63)(H,55,62)(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H4,51,52,53)/t33-,34+,35-,36+,37+,40-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020667
(1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 Show InChI InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35-,36+,37+,38+,39-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020666
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 Show InChI InChI=1S/C46H69N9O8S2/c1-4-63-32-18-16-31(17-19-32)26-35-42(59)53-36(25-30-13-7-5-8-14-30)43(60)55-39(29(2)3)45(62)52-34(20-24-48)41(58)54-37(44(61)51-33(40(49)57)15-9-12-23-47)28-64-65-46(27-38(56)50-35)21-10-6-11-22-46/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,47-48H2,1-3H3,(H2,49,57)(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,58)(H,55,60)/t33-,34+,35-,36+,37+,39-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020673
(1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C53H77N13O11S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(71)62-37(25-32-13-7-5-8-14-32)48(73)65-44(31(2)3)50(75)63-38(27-41(54)67)47(72)64-39(30-78-79-53(28-43(69)60-36)21-9-6-10-22-53)51(76)66-24-12-16-40(66)49(74)61-35(15-11-23-58-52(56)57)45(70)59-29-42(55)68/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H4,56,57,58)/t35-,36-,37+,38+,39+,40-,44-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020672
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1 Show InChI InChI=1S/C47H71N11O8S2/c1-4-66-32-18-16-31(17-19-32)26-35-42(62)56-36(25-30-13-7-5-8-14-30)43(63)58-39(29(2)3)45(65)55-34(20-23-48)41(61)57-37(28-67-68-47(27-38(59)53-35)21-10-6-11-22-47)44(64)54-33(40(49)60)15-9-12-24-52-46(50)51/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,48H2,1-3H3,(H2,49,60)(H,53,59)(H,54,64)(H,55,65)(H,56,62)(H,57,61)(H,58,63)(H4,50,51,52)/t33-,34+,35-,36+,37+,39-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020668
(2-{[13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benz...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)cc1 Show InChI InChI=1S/C46H68N10O9S2/c1-4-65-31-17-15-30(16-18-31)25-34-40(59)54-35(24-29-12-7-5-8-13-29)41(60)56-38(28(2)3)43(62)52-32(19-22-47)39(58)55-36(42(61)53-33(44(63)64)14-11-23-50-45(48)49)27-66-67-46(26-37(57)51-34)20-9-6-10-21-46/h5,7-8,12-13,15-18,28,32-36,38H,4,6,9-11,14,19-27,47H2,1-3H3,(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H,55,58)(H,56,60)(H,63,64)(H4,48,49,50)/t32-,33+,34+,35-,36-,38+/m1/s1 | Reactome pathway
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KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Sus scrofa) | BDBM50020670
((2-{[13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-ben...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C48H71N11O10S2/c1-4-69-32-17-15-31(16-18-32)25-35-43(65)57-36(24-30-12-7-5-8-13-30)44(66)59-40(29(2)3)46(68)56-34(19-22-49)42(64)58-37(28-70-71-48(26-38(60)54-35)20-9-6-10-21-48)45(67)55-33(14-11-23-52-47(50)51)41(63)53-27-39(61)62/h5,7-8,12-13,15-18,29,33-37,40H,4,6,9-11,14,19-28,49H2,1-3H3,(H,53,63)(H,54,60)(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H4,50,51,52)/t33-,34+,35-,36+,37+,40-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane |
J Med Chem 29: 984-8 (1986)
BindingDB Entry DOI: 10.7270/Q27M06W4 |
More data for this
Ligand-Target Pair | |
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