Found 4 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
(Homo sapiens (Human)) | BDBM50435057
(CHEMBL2391300)Show SMILES CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |r,TLB:11:12:35:16.15| Show InChI InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21-,22+,24+,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yerkes National Primate Research Center
Curated by ChEMBL
| Assay Description Binding affinity to human OT receptor |
Bioorg Med Chem Lett 23: 902-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50326719
((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19| Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yerkes National Primate Research Center
Curated by ChEMBL
| Assay Description Binding affinity to human OT receptor |
Bioorg Med Chem Lett 23: 902-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50326719
((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19| Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yerkes National Primate Research Center
Curated by ChEMBL
| Assay Description Inhibition of rat uterus OT receptor |
Bioorg Med Chem Lett 23: 902-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50435057
(CHEMBL2391300)Show SMILES CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |r,TLB:11:12:35:16.15| Show InChI InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21-,22+,24+,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Yerkes National Primate Research Center
Curated by ChEMBL
| Assay Description Inhibition of rat uterus OT receptor |
Bioorg Med Chem Lett 23: 902-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690 |
More data for this Ligand-Target Pair | |