BDBM50332604 CHEMBL1630788::cis-N-Methyl-N-(4-methyl-1-(2,2,2-trifluoroethylsulfonyl)-piperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES: C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F

InChI Key: InChIKey=IQGBQQYFBCFKHW-PWSUYJOCSA-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 = 50332604   

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))	BDBM50332604 (CHEMBL1630788 | cis-N-Methyl-N-(4-methyl-1-(2,2,2-...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C15H20F3N5O2S/c1-10-4-6-23(26(24,25)8-15(16,17)18)7-12(10)22(2)14-11-3-5-19-13(11)20-9-21-14/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human JAK1 catalytic domain expressed in Sf9 cells by ELISA				J Med Chem 53: 8468-84 (2010) Article DOI: 10.1021/jm1004286 BindingDB Entry DOI: 10.7270/Q2154H9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50332604 (CHEMBL1630788 | cis-N-Methyl-N-(4-methyl-1-(2,2,2-...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C15H20F3N5O2S/c1-10-4-6-23(26(24,25)8-15(16,17)18)7-12(10)22(2)14-11-3-5-19-13(11)20-9-21-14/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA				J Med Chem 53: 8468-84 (2010) Article DOI: 10.1021/jm1004286 BindingDB Entry DOI: 10.7270/Q2154H9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50332604 (CHEMBL1630788 | cis-N-Methyl-N-(4-methyl-1-(2,2,2-...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C15H20F3N5O2S/c1-10-4-6-23(26(24,25)8-15(16,17)18)7-12(10)22(2)14-11-3-5-19-13(11)20-9-21-14/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human JAK2 catalytic domain expressed in Sf9 cells by ELISA				J Med Chem 53: 8468-84 (2010) Article DOI: 10.1021/jm1004286 BindingDB Entry DOI: 10.7270/Q2154H9D
					More data for this Ligand-Target Pair