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BDBM50406727 CHEMBL1790201

SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[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

InChI Key: InChIKey=BIISXYIAKVPGRD-BYFUSKEGSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406727   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Oxytocin receptor


(RAT)		BDBM50406727
PNG
(CHEMBL1790201)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[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
Show InChI InChI=1S/C43H63N11O12S2/c1-3-23(2)36-42(65)50-27-13-14-34(58)46-16-5-4-7-26(37(60)47-21-33(45)57)49-41(64)31-8-6-17-54(31)43(66)30(52-39(62)29(20-32(44)56)51-38(27)61)22-68-67-18-15-35(59)48-28(40(63)53-36)19-24-9-11-25(55)12-10-24/h9-12,23,26-31,36,55H,3-8,13-22H2,1-2H3,(H2,44,56)(H2,45,57)(H,46,58)(H,47,60)(H,48,59)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36+/m1/s1
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Similars
PubMed
n/an/an/a 6.31n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro Oxytocin receptor antagonistic activity against rat uterine strips

J Med Chem 35: 1558-63 (1992)


BindingDB Entry DOI: 10.7270/Q2BC40RW
More data for this
Ligand-Target Pair