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BDBM50320460 AD[CFAKYC]V::CHEMBL1163470

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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=WWVMYBNBCIIHMP-NFAMODEXSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320460   
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)		BDBM50320460
PNG
(AD[CFAKYC]V | CHEMBL1163470)
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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C45H65N11O12S2/c1-23(2)36(45(67)68)56-44(66)34-22-70-69-21-33(54-42(64)32(20-35(48)58)51-37(59)24(3)47)43(65)53-30(18-26-10-6-5-7-11-26)40(62)49-25(4)38(60)50-29(12-8-9-17-46)39(61)52-31(41(63)55-34)19-27-13-15-28(57)16-14-27/h5-7,10-11,13-16,23-25,29-34,36,57H,8-9,12,17-22,46-47H2,1-4H3,(H2,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,61)(H,53,65)(H,54,64)(H,55,63)(H,56,66)(H,67,68)/t24-,25-,29-,30-,31-,32-,33-,34-,36-/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