Identical Ligands in BindingDB

Found 4 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	koff s-1	kon M-1s-1	pH	Temp °C
MAP kinase-activated protein kinase 2   (324/324 = 100%)† (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2   (316/322 = 98%)† (Mus musculus)	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 in mouse whole blood assessed as inhibition of LPS-induced TNFalpha production by ELISA				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2   (324/324 = 100%)† (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of human MAPKAP-K2 in THP1 cells assessed as inhibition of LPS-induced TNFalpha production incubated 1 hr prior to LPS challenge measured ...				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2   (324/324 = 100%)† (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 in human whole blood assessed as inhibition of LPS-induced TNFalpha production by ELISA				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)

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