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SMILES: CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12

InChI Key: InChIKey=BEKSUJBQAFPFQK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50454636   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair