null

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

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 493263   

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))	BDBM493263 (N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-(1-((1r,4r)...) Show SMILES NCCOCCOCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.31,wD:25.27,(-11.71,.83,;-10.22,.44,;-9.13,1.52,;-7.64,1.13,;-6.55,2.21,;-5.07,1.82,;-3.98,2.91,;-2.49,2.51,;-1.4,3.6,;.09,3.2,;.72,1.8,;-.17,.54,;2.26,1.65,;2.85,.28,;2.22,-1.13,;3.36,-2.16,;3.36,-3.7,;4.7,-4.47,;6.03,-3.7,;7.5,-4.18,;8.4,-2.93,;7.5,-1.69,;6.03,-2.16,;4.7,-1.39,;4.38,.12,;5.47,1.2,;6.95,.81,;8.04,1.89,;7.64,3.38,;8.73,4.47,;10.22,4.07,;11.71,3.67,;6.16,3.78,;5.07,2.69,)| 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))	BDBM493263 (N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-(1-((1r,4r)...) Show SMILES NCCOCCOCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.31,wD:25.27,(-11.71,.83,;-10.22,.44,;-9.13,1.52,;-7.64,1.13,;-6.55,2.21,;-5.07,1.82,;-3.98,2.91,;-2.49,2.51,;-1.4,3.6,;.09,3.2,;.72,1.8,;-.17,.54,;2.26,1.65,;2.85,.28,;2.22,-1.13,;3.36,-2.16,;3.36,-3.7,;4.7,-4.47,;6.03,-3.7,;7.5,-4.18,;8.4,-2.93,;7.5,-1.69,;6.03,-2.16,;4.7,-1.39,;4.38,.12,;5.47,1.2,;6.95,.81,;8.04,1.89,;7.64,3.38,;8.73,4.47,;10.22,4.07,;11.71,3.67,;6.16,3.78,;5.07,2.69,)| Show InChI	PDB MMDB 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
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493263 (N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-(1-((1r,4r)...) Show SMILES NCCOCCOCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.31,wD:25.27,(-11.71,.83,;-10.22,.44,;-9.13,1.52,;-7.64,1.13,;-6.55,2.21,;-5.07,1.82,;-3.98,2.91,;-2.49,2.51,;-1.4,3.6,;.09,3.2,;.72,1.8,;-.17,.54,;2.26,1.65,;2.85,.28,;2.22,-1.13,;3.36,-2.16,;3.36,-3.7,;4.7,-4.47,;6.03,-3.7,;7.5,-4.18,;8.4,-2.93,;7.5,-1.69,;6.03,-2.16,;4.7,-1.39,;4.38,.12,;5.47,1.2,;6.95,.81,;8.04,1.89,;7.64,3.38,;8.73,4.47,;10.22,4.07,;11.71,3.67,;6.16,3.78,;5.07,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69.5	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))	BDBM493263 (N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-(1-((1r,4r)...) Show SMILES NCCOCCOCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.31,wD:25.27,(-11.71,.83,;-10.22,.44,;-9.13,1.52,;-7.64,1.13,;-6.55,2.21,;-5.07,1.82,;-3.98,2.91,;-2.49,2.51,;-1.4,3.6,;.09,3.2,;.72,1.8,;-.17,.54,;2.26,1.65,;2.85,.28,;2.22,-1.13,;3.36,-2.16,;3.36,-3.7,;4.7,-4.47,;6.03,-3.7,;7.5,-4.18,;8.4,-2.93,;7.5,-1.69,;6.03,-2.16,;4.7,-1.39,;4.38,.12,;5.47,1.2,;6.95,.81,;8.04,1.89,;7.64,3.38,;8.73,4.47,;10.22,4.07,;11.71,3.67,;6.16,3.78,;5.07,2.69,)| 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	10.1	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