null

SMILES: CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1

InChI Key: InChIKey=ZWNHDUPLKJBMEF-CXGRPWHSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 502874   

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))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	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))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 JAK3 (Homo sapiens (Human))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	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))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 JAK3 (Homo sapiens (Human))	BDBM502874 ((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)| Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+	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