new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50180159'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50180159
PNG
(CHEMBL3814232)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC)[C@@H](C)CC |r|
Show InChI InChI=1/C45H70N12O12S2/c1-7-24(4)37-43(67)51-27(14-15-34(46)59)39(63)54-30(19-35(47)60)44(68)56(6)33(45(69)57-16-8-9-32(57)42(66)53-28(17-23(2)3)38(62)50-20-36(48)61)22-71-70-21-31(49-5)41(65)52-29(40(64)55-37)18-25-10-12-26(58)13-11-25/h10-13,23-24,27-33,37,49,58H,7-9,14-22H2,1-6H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,50,62)(H,51,67)(H,52,65)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
99n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180159
PNG
(CHEMBL3814232)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC)[C@@H](C)CC |r|
Show InChI InChI=1/C45H70N12O12S2/c1-7-24(4)37-43(67)51-27(14-15-34(46)59)39(63)54-30(19-35(47)60)44(68)56(6)33(45(69)57-16-8-9-32(57)42(66)53-28(17-23(2)3)38(62)50-20-36(48)61)22-71-70-21-31(49-5)41(65)52-29(40(64)55-37)18-25-10-12-26(58)13-11-25/h10-13,23-24,27-33,37,49,58H,7-9,14-22H2,1-6H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,50,62)(H,51,67)(H,52,65)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 175n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair