BDBM50349105 CHEMBL1808343

SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21

InChI Key: InChIKey=LTKUHPWNVCRTSA-MUUNZHRXSA-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 = 50349105   

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))	BDBM50349105 (CHEMBL1808343) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r| Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	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))	BDBM50349105 (CHEMBL1808343) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r| Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1	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))	BDBM50349105 (CHEMBL1808343) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r| Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1	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))	BDBM50349105 (CHEMBL1808343) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r| Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1	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	1.38E+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