BDBM153677 US8999998, 432

SMILES: COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=BAJWFUQPOIPLDS-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 = 153677   

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))	BDBM153677 (US8999998, 432) Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	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))	BDBM153677 (US8999998, 432) Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.70	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))	BDBM153677 (US8999998, 432) Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31	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))	BDBM153677 (US8999998, 432) Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	570	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