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SMILES: Nc1ncc(cn1)-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 = 493111   

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))	BDBM493111 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-5-yl)imidazo[4,5...) Show SMILES Nc1ncc(cn1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-5.86,5.04,;-5.09,3.71,;-3.55,3.71,;-2.78,2.37,;-3.55,1.04,;-5.09,1.04,;-5.86,2.37,;-2.78,-.29,;-3.41,-1.7,;-2.27,-2.73,;-2.27,-4.27,;-.93,-5.04,;.4,-4.27,;1.87,-4.75,;2.77,-3.5,;1.87,-2.26,;.4,-2.73,;-.93,-1.96,;-1.25,-.45,;-.22,.69,;1.28,.37,;2.32,1.51,;1.84,2.98,;2.87,4.12,;4.38,3.8,;5.86,3.4,;.33,3.3,;-.7,2.15,)| 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))	BDBM493111 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-5-yl)imidazo[4,5...) Show SMILES Nc1ncc(cn1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-5.86,5.04,;-5.09,3.71,;-3.55,3.71,;-2.78,2.37,;-3.55,1.04,;-5.09,1.04,;-5.86,2.37,;-2.78,-.29,;-3.41,-1.7,;-2.27,-2.73,;-2.27,-4.27,;-.93,-5.04,;.4,-4.27,;1.87,-4.75,;2.77,-3.5,;1.87,-2.26,;.4,-2.73,;-.93,-1.96,;-1.25,-.45,;-.22,.69,;1.28,.37,;2.32,1.51,;1.84,2.98,;2.87,4.12,;4.38,3.8,;5.86,3.4,;.33,3.3,;-.7,2.15,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	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))	BDBM493111 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-5-yl)imidazo[4,5...) Show SMILES Nc1ncc(cn1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-5.86,5.04,;-5.09,3.71,;-3.55,3.71,;-2.78,2.37,;-3.55,1.04,;-5.09,1.04,;-5.86,2.37,;-2.78,-.29,;-3.41,-1.7,;-2.27,-2.73,;-2.27,-4.27,;-.93,-5.04,;.4,-4.27,;1.87,-4.75,;2.77,-3.5,;1.87,-2.26,;.4,-2.73,;-.93,-1.96,;-1.25,-.45,;-.22,.69,;1.28,.37,;2.32,1.51,;1.84,2.98,;2.87,4.12,;4.38,3.8,;5.86,3.4,;.33,3.3,;-.7,2.15,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	127	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))	BDBM493111 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-5-yl)imidazo[4,5...) Show SMILES Nc1ncc(cn1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-5.86,5.04,;-5.09,3.71,;-3.55,3.71,;-2.78,2.37,;-3.55,1.04,;-5.09,1.04,;-5.86,2.37,;-2.78,-.29,;-3.41,-1.7,;-2.27,-2.73,;-2.27,-4.27,;-.93,-5.04,;.4,-4.27,;1.87,-4.75,;2.77,-3.5,;1.87,-2.26,;.4,-2.73,;-.93,-1.96,;-1.25,-.45,;-.22,.69,;1.28,.37,;2.32,1.51,;1.84,2.98,;2.87,4.12,;4.38,3.8,;5.86,3.4,;.33,3.3,;-.7,2.15,)| 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)
					More data for this Ligand-Target Pair