BindingDB PrimarySearch

null

SMILES: CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C

InChI Key: InChIKey=GDTQLZHHDRRBEB-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50327009
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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38beta (unknown origin)				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50327009 (4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 6629-39 (2010) Article DOI: 10.1021/jm100540x BindingDB Entry DOI: 10.7270/Q2JM29T1
					More data for this Ligand-Target Pair