BDBM50349094 CHEMBL1807305

SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21

InChI Key: InChIKey=JRZGFHZNTXYGPL-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 = 50349094   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349094 (CHEMBL1807305) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)	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))	BDBM50349094 (CHEMBL1807305) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)	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	3.63E+3	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))	BDBM50349094 (CHEMBL1807305) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)	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	372	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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50349094 (CHEMBL1807305) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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