Affinity Data by PubMed id=14561086

PubMed code 14561086

Found 9 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	36	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	23	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	21	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				3D Structure (docked)
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 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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	0.100	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				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14840 (1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.5	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14839 (1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.0900	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
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM14838 (1-(5-iso-Propyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...) 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	6	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14831 (3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chl...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	1.16E+3	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				3D Structure (crystal)

Found 5 hits of Isothermal Titration Calorimetry Data.
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BDBM14842 (1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	n/a	n/a	-18.0	5.93	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	J Med Chem 46: 4669-75 (2003)
BDBM14831 (3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chl...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	CHEBI DrugBank MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB	n/a	n/a	-23.4	5.94	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.	CHEBI DrugBank MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB	J Med Chem 46: 4669-75 (2003)
BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	n/a	n/a	-48.5	8.30	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	J Med Chem 46: 4669-75 (2003)
BDBM14835 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	n/a	n/a	-42.2	8	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	J Med Chem 46: 4669-75 (2003)
BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	n/a	n/a	-47.7	7.70	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.	PC cid PC sid	DrugBank GoogleScholar KEGG PDB	J Med Chem 46: 4669-75 (2003)

Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to:kcal/mole

* indicates data uncertainty>20%