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SMILES: COC1CCC(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)CC1

InChI Key: InChIKey=GFRDFKBKSOOVGA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294600   
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
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50294600
PNG
(1-(2-(5-(4-methoxybenzyl)-1-((4-methoxycyclohexyl)...)
Show SMILES COC1CCC(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)CC1 |(6.7,-34.55,;8.03,-35.32,;9.37,-34.56,;9.37,-33.02,;10.7,-32.25,;12.03,-33.03,;13.43,-32.12,;13.43,-30.58,;14.77,-29.81,;16.1,-30.58,;17.44,-29.8,;18.77,-30.57,;20.1,-29.8,;21.44,-30.57,;22.77,-29.8,;21.44,-32.11,;14.76,-28.26,;13.43,-27.49,;13.42,-25.95,;12.1,-28.26,;10.77,-27.49,;10.77,-25.95,;12.1,-25.19,;12.1,-23.65,;10.77,-22.88,;10.77,-21.34,;12.1,-20.57,;9.43,-23.66,;9.44,-25.19,;12.1,-29.81,;10.76,-30.58,;12.04,-34.57,;10.7,-35.33,)|
Show InChI InChI=1S/C22H33N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
MMDB

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Article
PubMed
n/an/a 3.26E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair