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SMILES: COc1cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)cc(OC)c1

InChI Key: InChIKey=IPWQALFJIXCCPC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033828   
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))		BDBM50033828
PNG
(3-(3,5-Dimethoxy-benzyl)-5-(1H-indol-3-ylmethyl)-o...)
Show SMILES COc1cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)cc(OC)c1
Show InChI InChI=1S/C21H20N2O5/c1-26-15-7-13(8-16(10-15)27-2)12-23-20(24)19(28-21(23)25)9-14-11-22-18-6-4-3-5-17(14)18/h3-8,10-11,22,24H,9,12H2,1-2H3
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MMDB

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Similars
PubMed
n/an/a 7.37E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.

J Med Chem 38: 923-33 (1995)


BindingDB Entry DOI: 10.7270/Q25D8SG4
More data for this
Ligand-Target Pair