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SMILES: OC12CC3CC(C1)CC(C3)(C2)NC(=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 = 493112   

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))	BDBM493112 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)| 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))	BDBM493112 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493112 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.5	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132] (Homo sapiens (Human))	BDBM493112 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)| 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	1.70	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