BDBM6145 US8802686, 2::US8802686, C2

SMILES: C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F

InChI Key: InChIKey=JLMIHNJHBAEFKC-NXEZZACHSA-N

Data: 8 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 12 hits for monomerid = 6145   

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 1 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description CDK1/CycB (200 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 and within the...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description CDK2/CycE (50 mg/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 uM, and within ...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description Recombinant CDK4 and CycD1-GST fusion proteins, purified from baculovirus-infected insect cells (Sf9), were purchased from ProQinase GmbH, Freiburg. ...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	5.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description VEGF receptor tyrosine kinase (90 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substance...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description CDK1/CycB (200 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 and within the...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description Recombinant CDK4 and CycD1-GST fusion proteins, purified from baculovirus-infected insect cells (Sf9), were purchased from ProQinase GmbH, Freiburg. ...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	5.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description VEGF receptor tyrosine kinase (90 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substance...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6145 (US8802686, 2 | US8802686, C2) Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O4S/c1-9(23)10(2)26-14-13(16(17,18)19)8-20-15(22-14)21-11-4-6-12(7-5-11)27(3,24)25/h4-10,23H,1-3H3,(H,20,21,22)/t9-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description CDK2/CycE (50 mg/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 uM, and within ...				US Patent US8802686 (2014) BindingDB Entry DOI: 10.7270/Q26W98R1
					More data for this Ligand-Target Pair