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BDBM50002718 CHEMBL385281

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=VHAXUIIDXKMZSR-MDZFVFJGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002718   
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 II receptor


(Homo sapiens (Human))		BDBM50002718
PNG
(CHEMBL385281)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C52H64N10O11S3/c1-28(2)44(52(72)73)62-51(71)41-27-76-75-26-40(60-45(65)34(54)23-43(63)64)50(70)59-39(22-31-25-74-42-18-9-7-15-33(31)42)49(69)58-38(21-30-24-55-35-16-8-6-14-32(30)35)48(68)56-36(17-10-11-19-53)46(66)57-37(47(67)61-41)20-29-12-4-3-5-13-29/h3-9,12-16,18,24-25,28,34,36-41,44,55H,10-11,17,19-23,26-27,53-54H2,1-2H3,(H,56,68)(H,57,66)(H,58,69)(H,59,70)(H,60,65)(H,61,67)(H,62,71)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,44-/m0/s1
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Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair