Found 5 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50406622' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Vasopressin V1a receptor
(RAT) | BDBM50406622
(CHEMBL2115364)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay |
J Med Chem 35: 151-7 (1992)
BindingDB Entry DOI: 10.7270/Q2668DT9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50406622
(CHEMBL2115364)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a |
University of Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay |
J Med Chem 35: 151-7 (1992)
BindingDB Entry DOI: 10.7270/Q2668DT9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50406622
(CHEMBL2115364)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.603 | n/a | n/a | n/a | n/a | n/a |
University of Sherbrooke
Curated by ChEMBL
| Assay Description
Negative log of Kd for Vasopressin V1 receptor |
J Med Chem 35: 151-7 (1992)
BindingDB Entry DOI: 10.7270/Q2668DT9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50406622
(CHEMBL2115364)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
University of Sherbrooke
Curated by ChEMBL
| Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells. |
J Med Chem 35: 151-7 (1992)
BindingDB Entry DOI: 10.7270/Q2668DT9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50406622
(CHEMBL2115364)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.479 | n/a | n/a | n/a | n/a | n/a |
University of Sherbrooke
Curated by ChEMBL
| Assay Description
Negative log of Kd. |
J Med Chem 35: 151-7 (1992)
BindingDB Entry DOI: 10.7270/Q2668DT9 |
More data for this
Ligand-Target Pair | |
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