BDBM230119 US9334290, 48

SMILES: Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=RVWUDEQVQNNWJB-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 = 230119   

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))	BDBM230119 (US9334290, 48) Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)| Show InChI InChI=1S/C31H23ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	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))	BDBM230119 (US9334290, 48) Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)| Show InChI InChI=1S/C31H23ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)	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	0.330	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