BDBM302036 BDBM302037::US9598405, 4.3

SMILES: Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CC2CCC(C1)C2C(O)=O

InChI Key: InChIKey=PTGHLYPKCUFGPS-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 = 302036   

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 SYK (Homo sapiens (Human))	BDBM302036 (BDBM302037 | US9598405, 4.3) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CC2CCC(C1)C2C(O)=O |TLB:24:23:27.28:31,(13.28,-2.32,;11.96,-1.53,;11.98,.01,;10.66,.8,;10.68,2.34,;9.36,3.13,;9.38,4.67,;8.06,5.46,;6.71,4.71,;6.69,3.17,;8.01,2.38,;8.08,7,;8.1,8.54,;9.62,6.98,;6.54,7.02,;9.31,.05,;9.29,-1.49,;10.61,-2.28,;7.95,-2.24,;7.76,-3.77,;6.25,-4.07,;5.5,-2.72,;6.55,-1.59,;3.97,-2.54,;3.36,-3.95,;3.71,-1.01,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;.93,-.22,;.14,1.1,;.9,2.45,;-1.4,1.08,)| Show InChI InChI=1S/C24H23F3N4O3S/c1-12-6-16(30-19(7-12)31-18-8-15(4-5-28-18)24(25,26)27)17-11-29-22(35-17)23(34)9-13-2-3-14(10-23)20(13)21(32)33/h4-8,11,13-14,20,34H,2-3,9-10H2,1H3,(H,32,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.228	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9598405 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V7T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM302036 (BDBM302037 | US9598405, 4.3) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CC2CCC(C1)C2C(O)=O |TLB:24:23:27.28:31,(13.28,-2.32,;11.96,-1.53,;11.98,.01,;10.66,.8,;10.68,2.34,;9.36,3.13,;9.38,4.67,;8.06,5.46,;6.71,4.71,;6.69,3.17,;8.01,2.38,;8.08,7,;8.1,8.54,;9.62,6.98,;6.54,7.02,;9.31,.05,;9.29,-1.49,;10.61,-2.28,;7.95,-2.24,;7.76,-3.77,;6.25,-4.07,;5.5,-2.72,;6.55,-1.59,;3.97,-2.54,;3.36,-3.95,;3.71,-1.01,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;.93,-.22,;.14,1.1,;.9,2.45,;-1.4,1.08,)| Show InChI InChI=1S/C24H23F3N4O3S/c1-12-6-16(30-19(7-12)31-18-8-15(4-5-28-18)24(25,26)27)17-11-29-22(35-17)23(34)9-13-2-3-14(10-23)20(13)21(32)33/h4-8,11,13-14,20,34H,2-3,9-10H2,1H3,(H,32,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.898	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9598405 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V7T
					More data for this Ligand-Target Pair