BDBM153672 US8999998, 359

SMILES: COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N

InChI Key: InChIKey=BVMSQKXHZARQEQ-UHFFFAOYSA-N

Data: 4 KI

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 = 153672   

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))	BDBM153672 (US8999998, 359) Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...				US Patent US8999998 (2015) BindingDB Entry DOI: 10.7270/Q2J67FN6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM153672 (US8999998, 359) Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...				US Patent US8999998 (2015) BindingDB Entry DOI: 10.7270/Q2J67FN6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM153672 (US8999998, 359) Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...				US Patent US8999998 (2015) BindingDB Entry DOI: 10.7270/Q2J67FN6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM153672 (US8999998, 359) Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	690	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Ty...				US Patent US8999998 (2015) BindingDB Entry DOI: 10.7270/Q2J67FN6
					More data for this Ligand-Target Pair