BDBM50539818 CHEMBL4648612

SMILES: Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12

InChI Key: InChIKey=OSPGWPLTUVOFKX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50539818   

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))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 in human STAT5-irf1-bla TF1 cells assessed as reduction in EPO-induced STAT5-signalling pre-incubated for 1 hrs before EPO additio...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539818 (CHEMBL4648612) Show SMILES Cc1[nH]nc2[nH]c(=O)cc(C3CC4CCC3CC4)c12 |(14.47,-21.16,;14.94,-22.62,;14.03,-23.86,;14.94,-25.12,;16.41,-24.64,;17.75,-25.4,;19.08,-24.64,;20.42,-25.41,;19.08,-23.09,;17.75,-22.31,;17.75,-20.77,;16.42,-20.01,;16.43,-18.46,;17.77,-17.7,;19.09,-18.48,;19.09,-20.01,;17.55,-20,;17.97,-18.46,;16.41,-23.09,)| Show InChI InChI=1S/C15H19N3O/c1-8-14-12(7-13(19)16-15(14)18-17-8)11-6-9-2-4-10(11)5-3-9/h7,9-11H,2-6H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair