Found 543 hits with Last Name = 'ogawa' and Initial = 'h' 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
(Homo sapiens (Human)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50% |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
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
| PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
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
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | 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
GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | 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
GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6.36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
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
| PubMed
| 9.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50% |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
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
| PubMed
| 9.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50029644
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards Vasopressin V1a receptor in rat liver |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
Vasopressin V1a 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
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 325 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | 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) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1b 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) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Tokushima Institute of New Drug Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 287: 860-7 (1998)
BindingDB Entry DOI: 10.7270/Q2S46QGC |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50029644
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards Vasopressin V1a receptor in human liver |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50094076
(CHEMBL434654 | N-[4-(7-Chloro-2,3,4,5-tetrahydro-b...)Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50% |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35723
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580223
(CHEMBL5079957)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35718
(benzazepine derivative, 20)Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cc(Cl)ccc12 Show InChI InChI=1S/C25H23ClN2O3/c1-16-5-2-3-6-20(16)24(30)27-19-11-8-17(9-12-19)25(31)28-14-4-7-23(29)21-15-18(26)10-13-22(21)28/h2-3,5-6,8-13,15,23,29H,4,7,14H2,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580222
(CHEMBL5076078)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50580225
(CHEMBL5084053)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at rat P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM271626
(US10065941, Compound I-127 | US9732060, Compound I...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at rat P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50094079
((4-Amino-2-methyl-phenyl)-(7-chloro-2,3,4,5-tetrah...)Show InChI InChI=1S/C18H19ClN2O/c1-12-10-15(20)6-7-16(12)18(22)21-9-3-2-4-13-11-14(19)5-8-17(13)21/h5-8,10-11H,2-4,9,20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM271626
(US10065941, Compound I-127 | US9732060, Compound I...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM271569
(US10065941, Compound I-070 | US9732060, Compound I...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(F)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35719
(benzazepine derivative, 21)Show SMILES COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C26H25ClN2O3/c1-17-6-3-4-7-21(17)25(30)28-20-12-9-18(10-13-20)26(31)29-15-5-8-24(32-2)22-16-19(27)11-14-23(22)29/h3-4,6-7,9-14,16,24H,5,8,15H2,1-2H3,(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35725
(benzazepine derivative, 34)Show SMILES COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-21-11-9-17(14-24(21)33-2)26(32)29-13-5-8-23(30)20-15-18(27)10-12-22(20)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ACE by fluorometric assay |
J Nat Prod 51: 357-359 (1988)
Article DOI: 10.1021/np50056a033 BindingDB Entry DOI: 10.7270/Q2XW4M1C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50094068
((2-Chloro-4-ethylamino-phenyl)-(7-chloro-2,3,4,5-t...)Show InChI InChI=1S/C19H20Cl2N2O/c1-2-22-15-7-8-16(17(21)12-15)19(24)23-10-4-3-5-13-11-14(20)6-9-18(13)23/h6-9,11-12,22H,2-5,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM271893
(US10065941, Compound R-208 | US9732060, Compound R...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580225
(CHEMBL5084053)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580224
(CHEMBL5090841)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cncc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580221
(CHEMBL5073093)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM265772
(US9718790, I-0616)Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@@H](O)CO)c(=O)n1Cc1ccc(Cl)cc1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM271685
(US10065941, Compound R-019 | US9732060, Compound R...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cnccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50094086
((4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro...)Show InChI InChI=1S/C20H21ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h2-4,7,9-11,14,22H,1,5-6,8,12-13H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50563052
(CHEMBL4748113)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at rat P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50580220
(CHEMBL5086991)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nccs3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183231
(US9150546, I-401 | US9688643, I-401 | US9718790, I...)Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,31,32)(H,27,28,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183205
(US9150546, I-369 | US9688643, I-369 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C23H26Cl2N4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183198
(US9150546, I-362 | US9688643, I-362 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H24Cl2N4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183344
(US9150546, I-518 | US9688643, I-518 | US9718790, I...)Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM35715
(benzazepine derivative, 13a)Show SMILES CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C26H26ClN3O2/c1-17-6-3-4-7-21(17)25(31)29-20-12-9-18(10-13-20)26(32)30-15-5-8-23(28-2)22-16-19(27)11-14-24(22)30/h3-4,6-7,9-14,16,23,28H,5,8,15H2,1-2H3,(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM35725
(benzazepine derivative, 34)Show SMILES COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-21-11-9-17(14-24(21)33-2)26(32)29-13-5-8-23(30)20-15-18(27)10-12-22(20)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Co., Ltd
| Assay Description After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C... |
Bioorg Med Chem 7: 1743-54 (1999)
Article DOI: 10.1016/s0968-0896(99)00101-7 BindingDB Entry DOI: 10.7270/Q2W957JR |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50094082
((2-Chloro-4-pyrrol-1-yl-phenyl)-(2,3,4,5-tetrahydr...)Show InChI InChI=1S/C21H19ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,5-7,9-13,15H,3-4,8,14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Company
Curated by ChEMBL
| Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells |
J Med Chem 43: 4388-97 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1R04 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50580221
(CHEMBL5073093)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at rat P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM271805
(US10065941, Compound R-120 | US9732060, Compound R...)Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccnn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at P2X3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX |
More data for this Ligand-Target Pair | |