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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50180158   
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


(Homo sapiens (Human))
BDBM50180158
PNG
(CHEMBL3813858)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)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)[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1S/C45H70N12O12S2/c1-7-24(4)37-42(66)51-28(14-15-34(47)59)39(63)53-30(19-35(48)60)43(67)56(6)33(22-71-70-21-27(46)38(62)52-29(40(64)54-37)18-25-10-12-26(58)13-11-25)45(69)57-16-8-9-31(57)44(68)55(5)32(17-23(2)3)41(65)50-20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
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Similars

Article
PubMed
69n/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)


Article DOI: 10.1016/j.bmc.2016.05.062
BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair