Identical Ligands in BindingDB

Found 2 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
Mitogen-activated protein kinase 13   (352/352 = 100%)† (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	82.7	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13   (352/352 = 100%)† (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)

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