BindingDB PrimarySearch

BDBM14837 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea::BIRB-796 Analog 4::CHEMBL420047::diaryl urea compound 6

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C

InChI Key: InChIKey=RHSMFYIHIIADSH-UHFFFAOYSA-N

Data: 1 IC50 4 Kd 2 K_off 1 K_on

PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 14837
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))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	7.0	23
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half re...				J Med Chem 46: 4669-75 (2003) Article DOI: 10.1021/jm030120s BindingDB Entry DOI: 10.7270/Q2833Q8J
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
MAP kinase p38 (Mus musculus (mouse))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...				J Med Chem 46: 4676-86 (2003) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q24F1P00
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.000120	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) 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 Patents Similars	Article PubMed	n/a	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
Technical University of Dortmund Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.000120	1.13E+5	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) 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 Patents Similars	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
Technical University of Dortmund Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair