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BDBM50320461 AD[CFWAYC]V::CHEMBL1165766

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=KLBFPAGTVQXMCB-OGAFOFCQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320461   
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
Urotensin-2 receptor


(RAT)		BDBM50320461
PNG
(AD[CFWAYC]V | CHEMBL1165766)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63N11O12S2/c1-25(2)41(50(72)73)61-49(71)39-24-75-74-23-38(59-47(69)37(21-40(52)63)55-42(64)26(3)51)48(70)57-35(18-28-10-6-5-7-11-28)45(67)58-36(20-30-22-53-33-13-9-8-12-32(30)33)44(66)54-27(4)43(65)56-34(46(68)60-39)19-29-14-16-31(62)17-15-29/h5-17,22,25-27,34-39,41,53,62H,18-21,23-24,51H2,1-4H3,(H2,52,63)(H,54,66)(H,55,64)(H,56,65)(H,57,70)(H,58,67)(H,59,69)(H,60,68)(H,61,71)(H,72,73)/t26-,27-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR

J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair