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BDBM50406735 CHEMBL2370528

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC2=O

InChI Key: InChIKey=GSJQRVOGSIPXIA-WOXDTIJASA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406735   
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
Neurokinin 2 receptor


(Rattus norvegicus (Rat))		BDBM50406735
PNG
(CHEMBL2370528)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC2=O
Show InChI InChI=1S/C41H54N8O7S/c1-24(2)20-31-38(53)45-30(17-19-57-3)37(52)44-29(15-16-35(42)50)36(51)46-32(22-26-23-43-28-13-8-7-12-27(26)28)39(54)48-33(21-25-10-5-4-6-11-25)41(56)49-18-9-14-34(49)40(55)47-31/h4-8,10-13,23-24,29-34,43H,9,14-22H2,1-3H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,51)(H,47,55)(H,48,54)/t29-,30+,31-,32+,33-,34-/m0/s1
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Similars
PubMed
n/an/an/a 1.58E+4n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens

J Med Chem 36: 2-10 (1993)


BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair