BDBM258887 US9499492, 39

SMILES: C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N

InChI Key: InChIKey=OBGYQQHPNRVDPR-SSEXGKCCSA-N

Data: 3 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 3 hits for monomerid = 258887   

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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM258887 (US9499492, 39) Show SMILES C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r| Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	177	n/a	n/a	n/a	n/a	8.0	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Method 1b: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair
GST-CDK2/CycE (Homo sapiens (Human))	BDBM258887 (US9499492, 39) Show SMILES C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r| Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	8.0	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM258887 (US9499492, 39) Show SMILES C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r| Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair