BDBM50463842 CHEMBL4246788

SMILES: COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2

InChI Key: InChIKey=YKEZMISRUHHYAV-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50463842   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50463842 (CHEMBL4246788) Show SMILES COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2 |TLB:5:4:24:7.6.8,5:6:3.4.23:24,THB:8:6:3:23.22.24,8:22:3:7.5.6,9:8:3.4.23:24,(18.96,-21.75,;18.96,-23.29,;20.3,-24.06,;19.11,-25.34,;20.61,-24.93,;22.03,-25.48,;23.04,-24.2,;21.63,-24.54,;23.06,-22.66,;24.34,-21.81,;24.34,-20.27,;25.68,-19.49,;25.67,-17.94,;24.33,-17.18,;23,-17.96,;21.53,-17.49,;20.63,-18.74,;21.54,-19.98,;23,-19.5,;27.01,-20.26,;28.34,-19.49,;27.01,-21.8,;21.64,-22.09,;20.6,-23.33,;20.3,-22.56,)| Show InChI InChI=1S/C19H24N4O2/c1-25-19-6-10-4-11(7-19)15(12(5-10)8-19)23-16-13-2-3-21-18(13)22-9-14(16)17(20)24/h2-3,9-12,15H,4-8H2,1H3,(H2,20,24)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 catalytic domain (850 to 1154 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50463842 (CHEMBL4246788) Show SMILES COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2 |TLB:5:4:24:7.6.8,5:6:3.4.23:24,THB:8:6:3:23.22.24,8:22:3:7.5.6,9:8:3.4.23:24,(18.96,-21.75,;18.96,-23.29,;20.3,-24.06,;19.11,-25.34,;20.61,-24.93,;22.03,-25.48,;23.04,-24.2,;21.63,-24.54,;23.06,-22.66,;24.34,-21.81,;24.34,-20.27,;25.68,-19.49,;25.67,-17.94,;24.33,-17.18,;23,-17.96,;21.53,-17.49,;20.63,-18.74,;21.54,-19.98,;23,-19.5,;27.01,-20.26,;28.34,-19.49,;27.01,-21.8,;21.64,-22.09,;20.6,-23.33,;20.3,-22.56,)| Show InChI InChI=1S/C19H24N4O2/c1-25-19-6-10-4-11(7-19)15(12(5-10)8-19)23-16-13-2-3-21-18(13)22-9-14(16)17(20)24/h2-3,9-12,15H,4-8H2,1H3,(H2,20,24)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50463842 (CHEMBL4246788) Show SMILES COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2 |TLB:5:4:24:7.6.8,5:6:3.4.23:24,THB:8:6:3:23.22.24,8:22:3:7.5.6,9:8:3.4.23:24,(18.96,-21.75,;18.96,-23.29,;20.3,-24.06,;19.11,-25.34,;20.61,-24.93,;22.03,-25.48,;23.04,-24.2,;21.63,-24.54,;23.06,-22.66,;24.34,-21.81,;24.34,-20.27,;25.68,-19.49,;25.67,-17.94,;24.33,-17.18,;23,-17.96,;21.53,-17.49,;20.63,-18.74,;21.54,-19.98,;23,-19.5,;27.01,-20.26,;28.34,-19.49,;27.01,-21.8,;21.64,-22.09,;20.6,-23.33,;20.3,-22.56,)| Show InChI InChI=1S/C19H24N4O2/c1-25-19-6-10-4-11(7-19)15(12(5-10)8-19)23-16-13-2-3-21-18(13)22-9-14(16)17(20)24/h2-3,9-12,15H,4-8H2,1H3,(H2,20,24)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair