null

SMILES: O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCOc1ccncc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 493103   

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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493103 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCOc1ccncc1 |r,wU:18.21,wD:15.17,(-2.41,-1.63,;-1.64,-.29,;-.1,-.29,;.67,-1.63,;.05,-3.03,;1.19,-4.06,;1.19,-5.6,;2.52,-6.37,;3.86,-5.6,;5.32,-6.08,;6.23,-4.83,;5.32,-3.59,;3.86,-4.06,;2.52,-3.29,;2.2,-1.79,;3.23,-.64,;4.74,-.96,;5.77,.18,;5.29,1.64,;6.33,2.79,;7.83,2.47,;9.34,2.15,;3.79,1.97,;2.76,.82,;-2.41,1.04,;-3.95,1.04,;-4.72,2.37,;-6.26,2.37,;-7.03,3.71,;-6.26,5.04,;-7.03,6.37,;-8.57,6.37,;-9.34,5.04,;-8.57,3.71,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493103 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCOc1ccncc1 |r,wU:18.21,wD:15.17,(-2.41,-1.63,;-1.64,-.29,;-.1,-.29,;.67,-1.63,;.05,-3.03,;1.19,-4.06,;1.19,-5.6,;2.52,-6.37,;3.86,-5.6,;5.32,-6.08,;6.23,-4.83,;5.32,-3.59,;3.86,-4.06,;2.52,-3.29,;2.2,-1.79,;3.23,-.64,;4.74,-.96,;5.77,.18,;5.29,1.64,;6.33,2.79,;7.83,2.47,;9.34,2.15,;3.79,1.97,;2.76,.82,;-2.41,1.04,;-3.95,1.04,;-4.72,2.37,;-6.26,2.37,;-7.03,3.71,;-6.26,5.04,;-7.03,6.37,;-8.57,6.37,;-9.34,5.04,;-8.57,3.71,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493103 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCOc1ccncc1 |r,wU:18.21,wD:15.17,(-2.41,-1.63,;-1.64,-.29,;-.1,-.29,;.67,-1.63,;.05,-3.03,;1.19,-4.06,;1.19,-5.6,;2.52,-6.37,;3.86,-5.6,;5.32,-6.08,;6.23,-4.83,;5.32,-3.59,;3.86,-4.06,;2.52,-3.29,;2.2,-1.79,;3.23,-.64,;4.74,-.96,;5.77,.18,;5.29,1.64,;6.33,2.79,;7.83,2.47,;9.34,2.15,;3.79,1.97,;2.76,.82,;-2.41,1.04,;-3.95,1.04,;-4.72,2.37,;-6.26,2.37,;-7.03,3.71,;-6.26,5.04,;-7.03,6.37,;-8.57,6.37,;-9.34,5.04,;-8.57,3.71,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132] (Homo sapiens (Human))	BDBM493103 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCOc1ccncc1 |r,wU:18.21,wD:15.17,(-2.41,-1.63,;-1.64,-.29,;-.1,-.29,;.67,-1.63,;.05,-3.03,;1.19,-4.06,;1.19,-5.6,;2.52,-6.37,;3.86,-5.6,;5.32,-6.08,;6.23,-4.83,;5.32,-3.59,;3.86,-4.06,;2.52,-3.29,;2.2,-1.79,;3.23,-.64,;4.74,-.96,;5.77,.18,;5.29,1.64,;6.33,2.79,;7.83,2.47,;9.34,2.15,;3.79,1.97,;2.76,.82,;-2.41,1.04,;-3.95,1.04,;-4.72,2.37,;-6.26,2.37,;-7.03,3.71,;-6.26,5.04,;-7.03,6.37,;-8.57,6.37,;-9.34,5.04,;-8.57,3.71,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021)
					More data for this Ligand-Target Pair