BindingDB PrimarySearch

BDBM50348732 CHEMBL1801504

SMILES: Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F

InChI Key: InChIKey=ISGGXCWQSOCOCW-UHFFFAOYSA-N

Data: 2 IC50 10 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50348732
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 1A (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.80E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
Afraxis Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187 induced nitric oxide production incubated for 24 hrs measured after ...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of mouse iNOS				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
Afraxis Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50348732 (CHEMBL1801504) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
Kalypsys, Inc Curated by ChEMBL					More data for this Ligand-Target Pair