Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 440.4 BDBM50045574

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of CK1-delta (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38a MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1352-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.034 BindingDB Entry DOI: 10.7270/Q2D221KT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50045574 (CHEMBL3120983) Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H17FN6O2/c1-30-22(16-9-11-26-12-10-16)21(15-5-7-18(25)8-6-15)27-23(30)20-14-31(29-28-20)19-4-2-3-17(13-19)24(32)33/h2-14H,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair