BDBM50463843 CHEMBL4247874

SMILES: NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2

InChI Key: InChIKey=OVGPWUVLXLIHFH-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 = 50463843   

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 JAK2 (Homo sapiens (Human))	BDBM50463843 (CHEMBL4247874) Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(13.58,-20.03,;12.25,-20.81,;12.25,-22.35,;10.91,-20.04,;10.91,-18.49,;9.57,-17.72,;8.23,-18.5,;6.77,-18.03,;5.87,-19.28,;6.78,-20.52,;8.24,-20.04,;9.57,-20.81,;9.57,-22.35,;8.29,-23.21,;8.27,-24.74,;7.26,-26.03,;5.84,-25.47,;5.84,-23.87,;6.88,-22.63,;5.53,-23.11,;5.54,-24.61,;4.2,-23.83,;4.34,-25.88,;6.87,-25.09,)| Show InChI InChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12-1-2-21-17(12)22-8-13(15)16(20)24/h1-2,8-11,14H,3-7H2,(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	11	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50463843 (CHEMBL4247874) Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(13.58,-20.03,;12.25,-20.81,;12.25,-22.35,;10.91,-20.04,;10.91,-18.49,;9.57,-17.72,;8.23,-18.5,;6.77,-18.03,;5.87,-19.28,;6.78,-20.52,;8.24,-20.04,;9.57,-20.81,;9.57,-22.35,;8.29,-23.21,;8.27,-24.74,;7.26,-26.03,;5.84,-25.47,;5.84,-23.87,;6.88,-22.63,;5.53,-23.11,;5.54,-24.61,;4.2,-23.83,;4.34,-25.88,;6.87,-25.09,)| Show InChI InChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12-1-2-21-17(12)22-8-13(15)16(20)24/h1-2,8-11,14H,3-7H2,(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	2.10	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 JAK1 (Homo sapiens (Human))	BDBM50463843 (CHEMBL4247874) Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(13.58,-20.03,;12.25,-20.81,;12.25,-22.35,;10.91,-20.04,;10.91,-18.49,;9.57,-17.72,;8.23,-18.5,;6.77,-18.03,;5.87,-19.28,;6.78,-20.52,;8.24,-20.04,;9.57,-20.81,;9.57,-22.35,;8.29,-23.21,;8.27,-24.74,;7.26,-26.03,;5.84,-25.47,;5.84,-23.87,;6.88,-22.63,;5.53,-23.11,;5.54,-24.61,;4.2,-23.83,;4.34,-25.88,;6.87,-25.09,)| Show InChI InChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12-1-2-21-17(12)22-8-13(15)16(20)24/h1-2,8-11,14H,3-7H2,(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	19	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