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SMILES: CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N

InChI Key: InChIKey=ZJAQVPWGBNUWLT-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 228729   

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 JAK2 [808-1132] (Homo sapiens (Human))	BDBM228729 (US10369153, Compound 98 | US9346810, 98) Show SMILES CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N Show InChI InChI=1S/C19H21N7/c1-2-8-26(17-4-3-14(10-20)11-22-17)15-6-9-25(12-15)19-16-5-7-21-18(16)23-13-24-19/h3-5,7,11,13,15H,2,6,8-9,12H2,1H3,(H,21,23,24)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0550	n/a	n/a	n/a	n/a	n/a	25
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...				US Patent US9346810 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q0X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM228729 (US10369153, Compound 98 | US9346810, 98) Show SMILES CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N Show InChI InChI=1S/C19H21N7/c1-2-8-26(17-4-3-14(10-20)11-22-17)15-6-9-25(12-15)19-16-5-7-21-18(16)23-13-24-19/h3-5,7,11,13,15H,2,6,8-9,12H2,1H3,(H,21,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...				US Patent US10369153 (2019) BindingDB Entry DOI: 10.7270/Q27W6FJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM228729 (US10369153, Compound 98 | US9346810, 98) Show SMILES CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N Show InChI InChI=1S/C19H21N7/c1-2-8-26(17-4-3-14(10-20)11-22-17)15-6-9-25(12-15)19-16-5-7-21-18(16)23-13-24-19/h3-5,7,11,13,15H,2,6,8-9,12H2,1H3,(H,21,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...				US Patent US10369153 (2019) BindingDB Entry DOI: 10.7270/Q27W6FJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM228729 (US10369153, Compound 98 | US9346810, 98) Show SMILES CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N Show InChI InChI=1S/C19H21N7/c1-2-8-26(17-4-3-14(10-20)11-22-17)15-6-9-25(12-15)19-16-5-7-21-18(16)23-13-24-19/h3-5,7,11,13,15H,2,6,8-9,12H2,1H3,(H,21,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	25
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...				US Patent US9346810 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q0X
					More data for this Ligand-Target Pair