BDBM387827 N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-((1r, 4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide::US10294226, Compound Ex. 10::US10487083, Example 10::US10981911, Example 55

SMILES: O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2

InChI Key:

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 387827   

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 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D
					More data for this Ligand-Target Pair
JAK1 (aa 574-1154) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
JAK2 (aa 532-1132) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
JAK3 (aa 512-1124) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.5	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
TYK2 (aa 580-1182) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB B.MOAD 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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
JAK1 (aa 574-1154) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB 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
JAK2 (aa 532-1132) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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
JAK3 (aa 512-1124) (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59.6	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
TYK2 [aa 580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	87.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D
					More data for this Ligand-Target Pair