BDBM330029 US10463675, Example 112::US9663526, Example 112

SMILES: CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C

InChI Key: InChIKey=YGNCUNZCKQWGDT-UHFFFAOYSA-N

Data: 8 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 12 hits for monomerid = 330029   

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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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 JAK1 (Homo sapiens (Human))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.07E+3	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 JAK2 (Homo sapiens (Human))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.04E+3	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	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	>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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.04E+3	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	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	>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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.07E+3	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.04E+3	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))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.07E+3	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