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SMILES: COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC

InChI Key: InChIKey=NKZDARSZVOPRKB-CYBMUJFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 228672   

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 [866-1154] (Homo sapiens (Human))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/m1/s1	PDB UniProtKB/SwissProt 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 JAK2 [808-1132] (Homo sapiens (Human))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/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))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/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 JAK1 (Homo sapiens (Human))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/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 JAK2 (Homo sapiens (Human))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/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))	BDBM228672 (US10369153, Compound 86 | US9346810, 86) Show SMILES COc1cc2ncnc(N(C)[C@@H]3CCN(C3)c3ncnc4[nH]ccc34)c2cc1OC Show InChI InChI=1S/C21H23N7O2/c1-27(20-15-8-17(29-2)18(30-3)9-16(15)23-11-25-20)13-5-7-28(10-13)21-14-4-6-22-19(14)24-12-26-21/h4,6,8-9,11-13H,5,7,10H2,1-3H3,(H,22,24,26)/t13-/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