BDBM230152 US9334290, 36

SMILES: Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=RXGHNLYVCPQUBS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 230152   

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))	BDBM230152 (US9334290, 36) Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)| Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	450	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))	BDBM230152 (US9334290, 36) Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)| Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)	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	0.280	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