BindingDB PrimarySearch

BDBM92522 Aminopyrazole inhibitor, 3451

SMILES: COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC

InChI Key: InChIKey=RQEFLPVRZJPIAZ-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 92522
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 10 (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl...				J Biol Chem 284: 12853-61 (2009) Article DOI: 10.1074/jbc.M809430200 BindingDB Entry DOI: 10.7270/Q2NZ867T
The Scripps Research Institute					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl...				J Biol Chem 284: 12853-61 (2009) Article DOI: 10.1074/jbc.M809430200 BindingDB Entry DOI: 10.7270/Q2NZ867T
The Scripps Research Institute					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (MAPK13) (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl...				J Biol Chem 284: 12853-61 (2009) Article DOI: 10.1074/jbc.M809430200 BindingDB Entry DOI: 10.7270/Q2NZ867T
The Scripps Research Institute					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay				J Med Chem 58: 72-95 (2015) Article DOI: 10.1021/jm501212r BindingDB Entry DOI: 10.7270/Q2JH3NVZ
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
c-Jun N-terminal kinase 3 (Rattus norvegicus)	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of JNK3-mediated c-jun phosphorylation in rat INS1 cells				J Med Chem 58: 72-95 (2015) Article DOI: 10.1021/jm501212r BindingDB Entry DOI: 10.7270/Q2JH3NVZ
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay				J Med Chem 58: 72-95 (2015) Article DOI: 10.1021/jm501212r BindingDB Entry DOI: 10.7270/Q2JH3NVZ
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase p38 (Homo sapiens (Human))	BDBM92522 (Aminopyrazole inhibitor, 3451) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38 (unknown origin)				J Med Chem 58: 72-95 (2015) Article DOI: 10.1021/jm501212r BindingDB Entry DOI: 10.7270/Q2JH3NVZ
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					More data for this Ligand-Target Pair