null

SMILES: OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 493110   

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))	BDBM493110 (2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-c...) Show SMILES OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| 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))	BDBM493110 (2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-c...) Show SMILES OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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))	BDBM493110 (2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-c...) Show SMILES OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	99.9	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132] (Homo sapiens (Human))	BDBM493110 (2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-c...) Show SMILES OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| 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	4	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