Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50034459 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50362873
(CHEMBL1940587)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48FN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50362871
(CHEMBL1940588)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50362872
(CHEMBL1940586)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(I)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48IN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50362872
(CHEMBL1940586)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(I)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48IN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V2 receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50362872
(CHEMBL1940586)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(I)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48IN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human V1b receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50362873
(CHEMBL1940587)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48FN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human V1b receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50362871
(CHEMBL1940588)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human V1b receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50362871
(CHEMBL1940588)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V2 receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50362873
(CHEMBL1940587)Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48FN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lehigh University
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V2 receptor |
Bioorg Med Chem 20: 1337-45 (2012)
Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX |
More data for this Ligand-Target Pair | |