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SMILES: CC1(CCN(CC#N)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

InChI Key:

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50585941   
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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50585941
PNG
(CHEMBL5089865)
Show SMILES CC1(CCN(CC#N)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02192
BindingDB Entry DOI: 10.7270/Q26Q225J
More data for this
Ligand-Target Pair