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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50087278   
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


(RAT)		BDBM50087278
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(t...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H73N11O12S2/c1-8-25(4)39-45(69)53-28(13-16-35(48)60)41(65)54-31(21-36(49)61)42(66)56-32(23-72-71-18-17-38(63)52-30(43(67)57-39)20-26-9-11-27(59)12-10-26)46(70)58-33(14-15-34(58)47(5,6)7)44(68)55-29(19-24(2)3)40(64)51-22-37(50)62/h9-12,24-25,28-34,39,59H,8,13-23H2,1-7H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,63)(H,53,69)(H,54,65)(H,55,68)(H,56,66)(H,57,67)/t25-,28-,29-,30-,31-,32-,33?,34?,39-/m0/s1
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Similars
PubMed
 240n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor

J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair