Found 4 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM81893' 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
(RAT) | BDBM81893
(CAS_3083084 | L-366,811 | NSC_3083084)Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC |c:38,56,58,t:36| Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 304-8 (1991)
BindingDB Entry DOI: 10.7270/Q2028Q1G |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM81893
(CAS_3083084 | L-366,811 | NSC_3083084)Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC |c:38,56,58,t:36| Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 304-8 (1991)
BindingDB Entry DOI: 10.7270/Q2028Q1G |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM81893
(CAS_3083084 | L-366,811 | NSC_3083084)Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC |c:38,56,58,t:36| Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 304-8 (1991)
BindingDB Entry DOI: 10.7270/Q2028Q1G |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Rhesus) | BDBM81893
(CAS_3083084 | L-366,811 | NSC_3083084)Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC |c:38,56,58,t:36| Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 304-8 (1991)
BindingDB Entry DOI: 10.7270/Q2028Q1G |
More data for this
Ligand-Target Pair | |
Search and Browse
