BindingDB PrimarySearch

BDBM50379156 CHEMBL2012958::Genz-669178

SMILES: Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N

InChI Key: InChIKey=XRXYHTFKWSMTFI-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50379156
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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health					Assay Description Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...				J Biol Chem 289: 17980-95 (2014) Article DOI: 10.1074/jbc.M114.558353 BindingDB Entry DOI: 10.7270/Q27P8X8G
Harvard School of Public Health					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health					Assay Description Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...				J Biol Chem 289: 17980-95 (2014) Article DOI: 10.1074/jbc.M114.558353 BindingDB Entry DOI: 10.7270/Q27P8X8G
Harvard School of Public Health					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 using phenacetin as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by whole cell voltage clamp assay				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 using S-mephenytoin as substrate after 45 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using midazolam as substrate after 5 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 using bufuralol as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379156 (CHEMBL2012958 \| Genz-669178) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using diclofenac as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair