BDBM237858 US9394282, 13-3::US9394282, 13-4::US9394282, 8-3::US9394282, 8-4

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N

InChI Key: InChIKey=VONAFDGGTACLKB-QMTHXVAHSA-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 = 237858   

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))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	769	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM237858 (US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair