BDBM179848 US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)oxido-λ6-sulfanylidene]cyanamide

SMILES: COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1

InChI Key: InChIKey=DAXGPJQWYKFPPW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 179848   

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))	BDBM179848 (US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM179848 (US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CDK2/cyclin E expressed in Sf9 insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM179848 (US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM179848 (US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair