BindingDB PrimarySearch

BDBM15754 (2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol::5-Amino-1-(4-fluorophenyl)-4-[3-{2(S), 3-dihydroxypropoxy}benzoyl]pyrazole::CHEMBL203567::RO3201195::aminopyrazole 63

SMILES: Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1

InChI Key: InChIKey=IJDQETGUEUJVTB-HNNXBMFYSA-N

Data: 5 IC50 1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 15754
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))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC					Assay Description Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...				J Med Chem 49: 1562-75 (2006) Article DOI: 10.1021/jm050736c BindingDB Entry DOI: 10.7270/Q23776ZN
Roche Palo Alto LLC					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of JNK2 (unknown origin)				Bioorg Med Chem Lett 18: 3745-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.037 BindingDB Entry DOI: 10.7270/Q2BG2NSG
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of p38alpha in hTERT-immortalized human HCA2 cells assessed as decrease in phosphorylated HSP27 level by ELISA in presence of anisomycin				Bioorg Med Chem Lett 18: 3745-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.037 BindingDB Entry DOI: 10.7270/Q2BG2NSG
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)-mediated TNFalpha production in peripheral mononucleocytes				Bioorg Med Chem Lett 18: 3745-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.037 BindingDB Entry DOI: 10.7270/Q2BG2NSG
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)-mediated IL1beta production in peripheral mononucleocytes				Bioorg Med Chem Lett 18: 3745-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.037 BindingDB Entry DOI: 10.7270/Q2BG2NSG
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15754 ((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of p38alpha-induced TNFalpha production in human THP1 cells				Bioorg Med Chem Lett 18: 3745-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.037 BindingDB Entry DOI: 10.7270/Q2BG2NSG
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)