BindingDB PrimarySearch

null

SMILES: CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1

InChI Key: InChIKey=QCDCMDPVHPUROA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50311412
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 3A4 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin as substrate				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human gherlin receptor				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311412 (CHEMBL1080046 \| N-(3-((1H-pyrazol-3-yl)methyl)-2,3...) 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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 19: 6452-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair