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Enter Data

null

SMILES: CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50566354
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation activity by high-pressure liquid chromatogra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens)	BDBM50566354 (CHEMBL4853103) Show SMILES CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-ta...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00044 BindingDB Entry DOI: 10.7270/Q2MG7T86
TBA					More data for this Ligand-Target Pair