Affinity Data by PDB ID

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PDB code 3OXI

Identical Ligands in BindingDB

Found 6 hits 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 8 (337/361 = 93%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
Elan Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (337/361 = 93%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (362/362 = 100%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
Elan Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (362/362 = 100%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (313/361 = 87%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (313/361 = 87%)^† (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 \| methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 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 Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
Elan Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Change energy units to: kcal/mole

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output