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SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c2-c3ccccc3C(=O)n2c2ccc(C)cc12

InChI Key: InChIKey=RKASKHITIDVOID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099538   
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
Substance-P receptor


(Homo sapiens (Human))		BDBM50099538
PNG
(11-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-oxo-...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c2-c3ccccc3C(=O)n2c2ccc(C)cc12
Show InChI InChI=1S/C30H29N3O3/c1-20-11-13-25-24(19-20)22(29-21-7-3-4-8-23(21)30(35)33(25)29)12-14-28(34)32-17-15-31(16-18-32)26-9-5-6-10-27(26)36-2/h3-11,13,19H,12,14-18H2,1-2H3
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Similars
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells at 100 nM

Bioorg Med Chem Lett 11: 1237-40 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9PQM
More data for this
Ligand-Target Pair