BDBM419652 US10463675, Example 95::US10980815, Ex. No. 95

SMILES: C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F

InChI Key: InChIKey=AJIADPABISZKBM-OKIDVHRISA-N

Data: 14 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 18 hits for monomerid = 419652   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10463675 (2019) BindingDB Entry DOI: 10.7270/Q2VT1VGN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/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	228	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10463675 (2019) BindingDB Entry DOI: 10.7270/Q2VT1VGN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10463675 (2019) BindingDB Entry DOI: 10.7270/Q2VT1VGN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant TYK2 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQID and ATP by mobility shi...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK1 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQUID and ATP by mobility sh...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility sh...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK3 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility sh...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
JAK1/TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha-induced STAT phosphorylation by flow cytometry				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
JAK1/TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human whole blood assessed as EPO signalling in CD34+ cells by flow cytometry				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10980815 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10980815 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/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	228	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10980815 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10980815 (2021)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM419652 (US10463675, Example 95 | US10980815, Ex. No. 95 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-14-8-28(9-19(10,14)26-17(29)13-3-11(13)4-21)16-15(20)6-22-18(25-16)24-12-5-23-27(2)7-12/h5-7,10-11,13-14H,3,8-9H2,1-2H3,(H,26,29)(H,22,24,25)/t10-,11+,13-,14+,19+/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10463675 (2019) BindingDB Entry DOI: 10.7270/Q2VT1VGN
					More data for this Ligand-Target Pair