BDBM228721 US10369153, Compound 80::US9346810, 80

SMILES: CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12

InChI Key: InChIKey=MQVUZFWTNGYJLU-CYBMUJFWSA-N

Data: 4 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 4 hits for monomerid = 228721   

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 (Homo sapiens (Human))	BDBM228721 (US10369153, Compound 80 | US9346810, 80) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12 Show InChI InChI=1S/C19H19N7/c1-25(18-14-4-2-3-5-16(14)21-11-23-18)13-7-9-26(10-13)19-15-6-8-20-17(15)22-12-24-19/h2-6,8,11-13H,7,9-10H2,1H3,(H,20,22,24)/t13-/m1/s1	PDB MMDB 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))	BDBM228721 (US10369153, Compound 80 | US9346810, 80) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12 Show InChI InChI=1S/C19H19N7/c1-25(18-14-4-2-3-5-16(14)21-11-23-18)13-7-9-26(10-13)19-15-6-8-20-17(15)22-12-24-19/h2-6,8,11-13H,7,9-10H2,1H3,(H,20,22,24)/t13-/m1/s1	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	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))	BDBM228721 (US10369153, Compound 80 | US9346810, 80) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12 Show InChI InChI=1S/C19H19N7/c1-25(18-14-4-2-3-5-16(14)21-11-23-18)13-7-9-26(10-13)19-15-6-8-20-17(15)22-12-24-19/h2-6,8,11-13H,7,9-10H2,1H3,(H,20,22,24)/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
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM228721 (US10369153, Compound 80 | US9346810, 80) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncnc2ccccc12 Show InChI InChI=1S/C19H19N7/c1-25(18-14-4-2-3-5-16(14)21-11-23-18)13-7-9-26(10-13)19-15-6-8-20-17(15)22-12-24-19/h2-6,8,11-13H,7,9-10H2,1H3,(H,20,22,24)/t13-/m1/s1	PDB 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