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SMILES: Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=VUSIZNYCXFPUFG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 230153   

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))	BDBM230153 (US9334290, 39) Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(12.93,9,;12.93,10.54,;14.26,11.31,;14.26,12.85,;12.93,13.62,;11.59,12.85,;11.59,11.31,;10.26,10.54,;10.26,9,;11.59,8.23,;8.92,8.23,;7.59,9,;6.13,8.53,;5.22,9.77,;6.13,11.02,;7.59,10.54,;8.92,11.31,;8.92,12.85,;15.59,10.54,;15.59,9,;14.26,8.23,;16.93,8.23,;18.26,9,;19.59,8.23,;20.93,9,;19.59,6.69,;18.26,10.54,;19.41,11.57,;18.78,12.98,;19.41,14.39,;18.5,15.63,;16.97,15.47,;16.34,14.07,;17.25,12.82,;16.93,11.31,;19.13,17.04,;19.75,18.45,;17.72,17.67,;20.53,16.41,)| Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substrates ...				US Patent US9334290 (2016) BindingDB Entry DOI: 10.7270/Q2BK1B6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM230153 (US9334290, 39) Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(12.93,9,;12.93,10.54,;14.26,11.31,;14.26,12.85,;12.93,13.62,;11.59,12.85,;11.59,11.31,;10.26,10.54,;10.26,9,;11.59,8.23,;8.92,8.23,;7.59,9,;6.13,8.53,;5.22,9.77,;6.13,11.02,;7.59,10.54,;8.92,11.31,;8.92,12.85,;15.59,10.54,;15.59,9,;14.26,8.23,;16.93,8.23,;18.26,9,;19.59,8.23,;20.93,9,;19.59,6.69,;18.26,10.54,;19.41,11.57,;18.78,12.98,;19.41,14.39,;18.5,15.63,;16.97,15.47,;16.34,14.07,;17.25,12.82,;16.93,11.31,;19.13,17.04,;19.75,18.45,;17.72,17.67,;20.53,16.41,)| Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...				US Patent US9334290 (2016) BindingDB Entry DOI: 10.7270/Q2BK1B6S
					More data for this Ligand-Target Pair