BDBM180843 US9133171, 48

SMILES: COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F

InChI Key: InChIKey=DUPJERCDKVJCCS-UHFFFAOYSA-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 = 180843   

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 (Homo sapiens (Human))	BDBM180843 (US9133171, 48) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180843 (US9133171, 48) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM180843 (US9133171, 48) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair