BDBM237868 US10766883, Comp. Ex-3 9-3::US9394282, 9-20::US9394282, 9-3

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

InChI Key: InChIKey=CLKADAOEZIONGA-YGRLFVJLSA-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 = 237868   

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))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	0.200	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))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	7	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))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	1.35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Grein...				US Patent US10766883 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	52	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))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Grein...				US Patent US10766883 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237868 (US10766883, Comp. Ex-3 9-3 | US9394282, 9-20 | US9...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(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	1	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