null

SMILES: CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O

InChI Key: InChIKey=BCABKEPRFQBBLZ-ZSOIMIOSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363994   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50363994 (CHEMBL1950039) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H55N13O11S2/c1-20(2)34-41(65)54-9-5-8-30(54)40(64)51-26(10-21-13-45-25-7-4-3-6-23(21)25)38(62)50-27(11-22-14-44-19-48-22)39(63)52-29(37(61)46-15-31(43)55)18-67-66-17-24(42)35(59)49-28(12-33(57)58)36(60)47-16-32(56)53-34/h3-4,6-7,13-14,19-20,24,26-30,34,45H,5,8-12,15-18,42H2,1-2H3,(H2,43,55)(H,44,48)(H,46,61)(H,47,60)(H,49,59)(H,50,62)(H,51,64)(H,52,63)(H,53,56)(H,57,58)/t24-,26-,27-,28-,29-,30-,34-/m0/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	2.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting				Bioorg Med Chem 19: 6743-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.049 BindingDB Entry DOI: 10.7270/Q2VD6ZXG
					More data for this Ligand-Target Pair