Affinity Data by PDB ID

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PDB code 3R2B

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
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...				Bioorg Med Chem Lett 21: 3823-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.016 BindingDB Entry DOI: 10.7270/Q2FT8MCB
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3823-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.016 BindingDB Entry DOI: 10.7270/Q2FT8MCB
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 in human THP1 cells assessed as Hsp27 phosphorylation				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (318/318 = 100%)^† (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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