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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50027076'   
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)
BDBM50027076
PNG
(CHEMBL2370768)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@@H](NC(=O)[C@H]3CCCN3C2=O)C(=O)NCC(N)=O)NC1=O)[C@@H](C)c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C49H76N12O12S2/c1-9-24(2)38-45(69)56-30-15-16-36(64)53-17-11-10-13-29(41(65)54-22-35(51)63)55-44(68)33-14-12-18-61(33)48(72)32(58-43(67)31(21-34(50)62)57-42(30)66)23-74-75-49(6,7)40(52)47(71)60-39(46(70)59-38)27(5)37-25(3)19-28(73-8)20-26(37)4/h19-20,24,27,29-33,38-40H,9-18,21-23,52H2,1-8H3,(H2,50,62)(H2,51,63)(H,53,64)(H,54,65)(H,55,68)(H,56,69)(H,57,66)(H,58,67)(H,59,70)(H,60,71)/t24-,27-,29+,30+,31+,32-,33+,38-,39+,40-/m0/s1
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PC cid
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Patents


Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards oxytocin receptor


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair