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SMILES: OC1CN(C1)C(=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 = 493078   

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))	BDBM493078 (2-((1r,4r)-4-(2-(2-(3-Hydroxyazetidin-1-yl)-2-oxoe...) Show SMILES OC1CN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.27,wD:20.23,(-6.65,-3.16,;-6.07,-1.74,;-6.67,-.32,;-5.27,.28,;-4.65,-1.14,;-4.5,1.62,;-5.27,2.95,;-2.96,1.62,;-2.19,.28,;-2.82,-1.12,;-1.68,-2.16,;-1.69,-3.7,;-.36,-4.47,;.98,-3.71,;2.44,-4.19,;3.35,-2.95,;2.45,-1.7,;.98,-2.17,;-.35,-1.39,;-.66,.12,;.43,1.2,;1.92,.81,;3.01,1.9,;2.61,3.38,;3.7,4.47,;5.18,4.07,;6.67,3.67,;1.12,3.78,;.03,2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM493078 (2-((1r,4r)-4-(2-(2-(3-Hydroxyazetidin-1-yl)-2-oxoe...) Show SMILES OC1CN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.27,wD:20.23,(-6.65,-3.16,;-6.07,-1.74,;-6.67,-.32,;-5.27,.28,;-4.65,-1.14,;-4.5,1.62,;-5.27,2.95,;-2.96,1.62,;-2.19,.28,;-2.82,-1.12,;-1.68,-2.16,;-1.69,-3.7,;-.36,-4.47,;.98,-3.71,;2.44,-4.19,;3.35,-2.95,;2.45,-1.7,;.98,-2.17,;-.35,-1.39,;-.66,.12,;.43,1.2,;1.92,.81,;3.01,1.9,;2.61,3.38,;3.7,4.47,;5.18,4.07,;6.67,3.67,;1.12,3.78,;.03,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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))	BDBM493078 (2-((1r,4r)-4-(2-(2-(3-Hydroxyazetidin-1-yl)-2-oxoe...) Show SMILES OC1CN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.27,wD:20.23,(-6.65,-3.16,;-6.07,-1.74,;-6.67,-.32,;-5.27,.28,;-4.65,-1.14,;-4.5,1.62,;-5.27,2.95,;-2.96,1.62,;-2.19,.28,;-2.82,-1.12,;-1.68,-2.16,;-1.69,-3.7,;-.36,-4.47,;.98,-3.71,;2.44,-4.19,;3.35,-2.95,;2.45,-1.7,;.98,-2.17,;-.35,-1.39,;-.66,.12,;.43,1.2,;1.92,.81,;3.01,1.9,;2.61,3.38,;3.7,4.47,;5.18,4.07,;6.67,3.67,;1.12,3.78,;.03,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	540	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))	BDBM493078 (2-((1r,4r)-4-(2-(2-(3-Hydroxyazetidin-1-yl)-2-oxoe...) Show SMILES OC1CN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.27,wD:20.23,(-6.65,-3.16,;-6.07,-1.74,;-6.67,-.32,;-5.27,.28,;-4.65,-1.14,;-4.5,1.62,;-5.27,2.95,;-2.96,1.62,;-2.19,.28,;-2.82,-1.12,;-1.68,-2.16,;-1.69,-3.7,;-.36,-4.47,;.98,-3.71,;2.44,-4.19,;3.35,-2.95,;2.45,-1.7,;.98,-2.17,;-.35,-1.39,;-.66,.12,;.43,1.2,;1.92,.81,;3.01,1.9,;2.61,3.38,;3.7,4.47,;5.18,4.07,;6.67,3.67,;1.12,3.78,;.03,2.69,)| 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	35.3	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