BDBM50517543 CHEMBL4572443

SMILES: COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Br)cc2)cc(OC)c1OC

InChI Key: InChIKey=IQDVEUGSFIUJKO-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 = 50517543   

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
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50517543 (CHEMBL4572443) Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Br)cc2)cc(OC)c1OC Show InChI InChI=1S/C21H18BrN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 20 mins				J Med Chem 62: 1274-1290 (2019) Article DOI: 10.1021/acs.jmedchem.8b01391
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50517543 (CHEMBL4572443) Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Br)cc2)cc(OC)c1OC Show InChI InChI=1S/C21H18BrN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay				J Med Chem 62: 1274-1290 (2019) Article DOI: 10.1021/acs.jmedchem.8b01391
					More data for this Ligand-Target Pair