BDBM50160880 CHEMBL3794018

SMILES: COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1

InChI Key: InChIKey=NLSGVTSSTDOANM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50160880   

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))	BDBM50160880 (CHEMBL3794018) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C24H19N7O4S/c1-35-24(34)14-3-2-4-15(9-14)28-23(33)18-10-17(5-6-20(18)32)31-12-16(29-30-31)11-25-22-21-19(7-8-36-21)26-13-27-22/h2-10,12-13,32H,11H2,1H3,(H,28,33)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	801	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160880 (CHEMBL3794018) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C24H19N7O4S/c1-35-24(34)14-3-2-4-15(9-14)28-23(33)18-10-17(5-6-20(18)32)31-12-16(29-30-31)11-25-22-21-19(7-8-36-21)26-13-27-22/h2-10,12-13,32H,11H2,1H3,(H,28,33)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair