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SMILES: CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1

InChI Key: InChIKey=XWEGZOWJKZVIPT-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 325479   

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))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325479 ((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r| Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair