null

SMILES: OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F

InChI Key: InChIKey=HMZBJXPSSIANDY-MJBXVCDLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 329942   

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))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PC35J0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent									US Patent US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent									US Patent US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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 JAK1 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	317	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 JAK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	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))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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) BindingDB Entry DOI: 10.7270/Q2XD14SG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	317	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) BindingDB Entry DOI: 10.7270/Q2XD14SG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	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) BindingDB Entry DOI: 10.7270/Q2XD14SG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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) BindingDB Entry DOI: 10.7270/Q2XD14SG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PC35J0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PC35J0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PC35J0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent									US Patent US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair