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SMILES: Nc1nccc(n1)-c1nc2cnc3[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 = 493113   

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))	BDBM493113 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-4-yl)imidazo[4,5...) Show SMILES Nc1nccc(n1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-6.63,2.83,;-5.09,2.83,;-4.32,4.17,;-2.78,4.17,;-2.01,2.83,;-2.78,1.5,;-4.32,1.5,;-2.01,.17,;-2.64,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.16,-4.58,;1.17,-3.81,;2.64,-4.29,;3.54,-3.04,;2.64,-1.8,;1.17,-2.27,;-.16,-1.5,;-.48,0,;.55,1.15,;2.05,.83,;3.09,1.97,;2.61,3.44,;3.64,4.58,;5.15,4.26,;6.63,3.86,;1.1,3.76,;.07,2.61,)| 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))	BDBM493113 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-4-yl)imidazo[4,5...) Show SMILES Nc1nccc(n1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-6.63,2.83,;-5.09,2.83,;-4.32,4.17,;-2.78,4.17,;-2.01,2.83,;-2.78,1.5,;-4.32,1.5,;-2.01,.17,;-2.64,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.16,-4.58,;1.17,-3.81,;2.64,-4.29,;3.54,-3.04,;2.64,-1.8,;1.17,-2.27,;-.16,-1.5,;-.48,0,;.55,1.15,;2.05,.83,;3.09,1.97,;2.61,3.44,;3.64,4.58,;5.15,4.26,;6.63,3.86,;1.1,3.76,;.07,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM493113 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-4-yl)imidazo[4,5...) Show SMILES Nc1nccc(n1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-6.63,2.83,;-5.09,2.83,;-4.32,4.17,;-2.78,4.17,;-2.01,2.83,;-2.78,1.5,;-4.32,1.5,;-2.01,.17,;-2.64,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.16,-4.58,;1.17,-3.81,;2.64,-4.29,;3.54,-3.04,;2.64,-1.8,;1.17,-2.27,;-.16,-1.5,;-.48,0,;.55,1.15,;2.05,.83,;3.09,1.97,;2.61,3.44,;3.64,4.58,;5.15,4.26,;6.63,3.86,;1.1,3.76,;.07,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61.8	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))	BDBM493113 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-4-yl)imidazo[4,5...) Show SMILES Nc1nccc(n1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-6.63,2.83,;-5.09,2.83,;-4.32,4.17,;-2.78,4.17,;-2.01,2.83,;-2.78,1.5,;-4.32,1.5,;-2.01,.17,;-2.64,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.16,-4.58,;1.17,-3.81,;2.64,-4.29,;3.54,-3.04,;2.64,-1.8,;1.17,-2.27,;-.16,-1.5,;-.48,0,;.55,1.15,;2.05,.83,;3.09,1.97,;2.61,3.44,;3.64,4.58,;5.15,4.26,;6.63,3.86,;1.1,3.76,;.07,2.61,)| 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	3.20	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