null

SMILES: O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 493108   

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))	BDBM493108 (N-Benzyl-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1 |r,wU:18.21,wD:15.17,(-3.55,-.96,;-2.78,.37,;-1.24,.37,;-.47,-.96,;-1.1,-2.37,;.04,-3.4,;.04,-4.94,;1.38,-5.71,;2.71,-4.94,;4.18,-5.41,;5.08,-4.17,;4.18,-2.92,;2.71,-3.4,;1.38,-2.63,;1.06,-1.12,;2.09,.02,;3.59,-.3,;4.63,.85,;4.15,2.31,;5.18,3.46,;6.69,3.14,;8.17,2.74,;2.64,2.63,;1.61,1.49,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-5.86,5.71,;-7.4,5.71,;-8.17,4.37,;-7.4,3.04,)| 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) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493108 (N-Benzyl-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1 |r,wU:18.21,wD:15.17,(-3.55,-.96,;-2.78,.37,;-1.24,.37,;-.47,-.96,;-1.1,-2.37,;.04,-3.4,;.04,-4.94,;1.38,-5.71,;2.71,-4.94,;4.18,-5.41,;5.08,-4.17,;4.18,-2.92,;2.71,-3.4,;1.38,-2.63,;1.06,-1.12,;2.09,.02,;3.59,-.3,;4.63,.85,;4.15,2.31,;5.18,3.46,;6.69,3.14,;8.17,2.74,;2.64,2.63,;1.61,1.49,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-5.86,5.71,;-7.4,5.71,;-8.17,4.37,;-7.4,3.04,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	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) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493108 (N-Benzyl-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1 |r,wU:18.21,wD:15.17,(-3.55,-.96,;-2.78,.37,;-1.24,.37,;-.47,-.96,;-1.1,-2.37,;.04,-3.4,;.04,-4.94,;1.38,-5.71,;2.71,-4.94,;4.18,-5.41,;5.08,-4.17,;4.18,-2.92,;2.71,-3.4,;1.38,-2.63,;1.06,-1.12,;2.09,.02,;3.59,-.3,;4.63,.85,;4.15,2.31,;5.18,3.46,;6.69,3.14,;8.17,2.74,;2.64,2.63,;1.61,1.49,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-5.86,5.71,;-7.4,5.71,;-8.17,4.37,;-7.4,3.04,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	193	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) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132] (Homo sapiens (Human))	BDBM493108 (N-Benzyl-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1 |r,wU:18.21,wD:15.17,(-3.55,-.96,;-2.78,.37,;-1.24,.37,;-.47,-.96,;-1.1,-2.37,;.04,-3.4,;.04,-4.94,;1.38,-5.71,;2.71,-4.94,;4.18,-5.41,;5.08,-4.17,;4.18,-2.92,;2.71,-3.4,;1.38,-2.63,;1.06,-1.12,;2.09,.02,;3.59,-.3,;4.63,.85,;4.15,2.31,;5.18,3.46,;6.69,3.14,;8.17,2.74,;2.64,2.63,;1.61,1.49,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-5.86,5.71,;-7.4,5.71,;-8.17,4.37,;-7.4,3.04,)| 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	5.30	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) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair