BDBM228699 US10369153, Compound 242::US9346810, 242

SMILES: CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1

InChI Key: InChIKey=SSQRGQRRPUZAFS-CQSZACIVSA-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 = 228699   

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
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM228699 (US10369153, Compound 242 | US9346810, 242) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1 Show InChI InChI=1S/C19H23N7O3S/c1-25(17-3-2-15(8-21-17)30(27,28)24-13-10-29-11-13)14-5-7-26(9-14)19-16-4-6-20-18(16)22-12-23-19/h2-4,6,8,12-14,24H,5,7,9-11H2,1H3,(H,20,22,23)/t14-/m1/s1	PDB 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 (Homo sapiens (Human))	BDBM228699 (US10369153, Compound 242 | US9346810, 242) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1 Show InChI InChI=1S/C19H23N7O3S/c1-25(17-3-2-15(8-21-17)30(27,28)24-13-10-29-11-13)14-5-7-26(9-14)19-16-4-6-20-18(16)22-12-23-19/h2-4,6,8,12-14,24H,5,7,9-11H2,1H3,(H,20,22,23)/t14-/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 JAK1 (Homo sapiens (Human))	BDBM228699 (US10369153, Compound 242 | US9346810, 242) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1 Show InChI InChI=1S/C19H23N7O3S/c1-25(17-3-2-15(8-21-17)30(27,28)24-13-10-29-11-13)14-5-7-26(9-14)19-16-4-6-20-18(16)22-12-23-19/h2-4,6,8,12-14,24H,5,7,9-11H2,1H3,(H,20,22,23)/t14-/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))	BDBM228699 (US10369153, Compound 242 | US9346810, 242) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1 Show InChI InChI=1S/C19H23N7O3S/c1-25(17-3-2-15(8-21-17)30(27,28)24-13-10-29-11-13)14-5-7-26(9-14)19-16-4-6-20-18(16)22-12-23-19/h2-4,6,8,12-14,24H,5,7,9-11H2,1H3,(H,20,22,23)/t14-/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