BDBM50349100 CHEMBL1808339

SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21

InChI Key: InChIKey=BJCDONGBHGLZHP-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 = 50349100   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50349100 (CHEMBL1808339) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21 Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349100 (CHEMBL1808339) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21 Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50349100 (CHEMBL1808339) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21 Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50349100 (CHEMBL1808339) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21 Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair