null

SMILES: O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 493099   

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))	BDBM493099 (N-(4-Cyanobenzyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyc...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N |r,wU:18.21,wD:15.17,(-3.18,-2.29,;-2.41,-.96,;-.87,-.96,;-.1,-2.29,;-.72,-3.7,;.42,-4.73,;.42,-6.27,;1.75,-7.04,;3.09,-6.27,;4.55,-6.75,;5.46,-5.5,;4.55,-4.26,;3.09,-4.73,;1.75,-3.96,;1.43,-2.46,;2.46,-1.31,;3.97,-1.63,;5,-.49,;4.52,.98,;5.56,2.12,;7.06,1.8,;8.57,1.48,;3.02,1.3,;1.99,.15,;-3.18,.37,;-4.72,.37,;-5.49,1.71,;-4.72,3.04,;-5.49,4.37,;-7.03,4.37,;-7.8,3.04,;-7.03,1.71,;-7.8,5.71,;-8.57,7.04,)| 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)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493099 (N-(4-Cyanobenzyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyc...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N |r,wU:18.21,wD:15.17,(-3.18,-2.29,;-2.41,-.96,;-.87,-.96,;-.1,-2.29,;-.72,-3.7,;.42,-4.73,;.42,-6.27,;1.75,-7.04,;3.09,-6.27,;4.55,-6.75,;5.46,-5.5,;4.55,-4.26,;3.09,-4.73,;1.75,-3.96,;1.43,-2.46,;2.46,-1.31,;3.97,-1.63,;5,-.49,;4.52,.98,;5.56,2.12,;7.06,1.8,;8.57,1.48,;3.02,1.3,;1.99,.15,;-3.18,.37,;-4.72,.37,;-5.49,1.71,;-4.72,3.04,;-5.49,4.37,;-7.03,4.37,;-7.8,3.04,;-7.03,1.71,;-7.8,5.71,;-8.57,7.04,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
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))	BDBM493099 (N-(4-Cyanobenzyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyc...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N |r,wU:18.21,wD:15.17,(-3.18,-2.29,;-2.41,-.96,;-.87,-.96,;-.1,-2.29,;-.72,-3.7,;.42,-4.73,;.42,-6.27,;1.75,-7.04,;3.09,-6.27,;4.55,-6.75,;5.46,-5.5,;4.55,-4.26,;3.09,-4.73,;1.75,-3.96,;1.43,-2.46,;2.46,-1.31,;3.97,-1.63,;5,-.49,;4.52,.98,;5.56,2.12,;7.06,1.8,;8.57,1.48,;3.02,1.3,;1.99,.15,;-3.18,.37,;-4.72,.37,;-5.49,1.71,;-4.72,3.04,;-5.49,4.37,;-7.03,4.37,;-7.8,3.04,;-7.03,1.71,;-7.8,5.71,;-8.57,7.04,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	142	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))	BDBM493099 (N-(4-Cyanobenzyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyc...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N |r,wU:18.21,wD:15.17,(-3.18,-2.29,;-2.41,-.96,;-.87,-.96,;-.1,-2.29,;-.72,-3.7,;.42,-4.73,;.42,-6.27,;1.75,-7.04,;3.09,-6.27,;4.55,-6.75,;5.46,-5.5,;4.55,-4.26,;3.09,-4.73,;1.75,-3.96,;1.43,-2.46,;2.46,-1.31,;3.97,-1.63,;5,-.49,;4.52,.98,;5.56,2.12,;7.06,1.8,;8.57,1.48,;3.02,1.3,;1.99,.15,;-3.18,.37,;-4.72,.37,;-5.49,1.71,;-4.72,3.04,;-5.49,4.37,;-7.03,4.37,;-7.8,3.04,;-7.03,1.71,;-7.8,5.71,;-8.57,7.04,)| 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)
					More data for this Ligand-Target Pair