BDBM50349101 CHEMBL1808340

SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21

InChI Key: InChIKey=WGZYFFJOGZFXBF-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 = 50349101   

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))	BDBM50349101 (CHEMBL1808340) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50349101 (CHEMBL1808340) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349101 (CHEMBL1808340) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	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
Aurora kinase A (Homo sapiens (Human))	BDBM50349101 (CHEMBL1808340) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	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