BDBM168591 US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl-λ6-sulfanylidene]cyanamide::US9669034, 71 [(3-Fluoro-5-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl-λ6-sulfanylidene]cyanamide;enantiomer1::US9669034, 72 [(3-Fluoro-5-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl-λ6-sulfanylidene]cyanamide;enantiomer2

SMILES: COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1

InChI Key: InChIKey=XUKWBMKTRVFRAS-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 168591   

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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	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	6	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	230	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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	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	5	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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(H,23,24,26,27)	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	6	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