BDBM232615 US9346815, 161::US9604984, Example 161

SMILES: FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1

InChI Key: InChIKey=DRGWCQMLFFCEJR-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 = 232615   

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))	BDBM232615 (US9346815, 161 | US9604984, Example 161) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C29H33ClF2N8O4S/c30-20-3-4-25(44-29(31)32)22(17-20)26-24(35-28(41)23-18-34-39-10-1-7-33-27(23)39)19-40(36-26)21-5-11-37(12-6-21)8-2-9-38-13-15-45(42,43)16-14-38/h1,3-4,7,10,17-19,21,29H,2,5-6,8-9,11-16H2,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-13.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232615 (US9346815, 161 | US9604984, Example 161) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C29H33ClF2N8O4S/c30-20-3-4-25(44-29(31)32)22(17-20)26-24(35-28(41)23-18-34-39-10-1-7-33-27(23)39)19-40(36-26)21-5-11-37(12-6-21)8-2-9-38-13-15-45(42,43)16-14-38/h1,3-4,7,10,17-19,21,29H,2,5-6,8-9,11-16H2,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM232615 (US9346815, 161 | US9604984, Example 161) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C29H33ClF2N8O4S/c30-20-3-4-25(44-29(31)32)22(17-20)26-24(35-28(41)23-18-34-39-10-1-7-33-27(23)39)19-40(36-26)21-5-11-37(12-6-21)8-2-9-38-13-15-45(42,43)16-14-38/h1,3-4,7,10,17-19,21,29H,2,5-6,8-9,11-16H2,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM232615 (US9346815, 161 | US9604984, Example 161) Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCN(CCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C29H33ClF2N8O4S/c30-20-3-4-25(44-29(31)32)22(17-20)26-24(35-28(41)23-18-34-39-10-1-7-33-27(23)39)19-40(36-26)21-5-11-37(12-6-21)8-2-9-38-13-15-45(42,43)16-14-38/h1,3-4,7,10,17-19,21,29H,2,5-6,8-9,11-16H2,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.23	-12.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair