BDBM50500403 CHEMBL3746996

SMILES: COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12

InChI Key: InChIKey=DKFYLLCZNHNOHM-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 = 50500403   

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
Tubulin beta chain (Sus scrofa)	BDBM50500403 (CHEMBL3746996) Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12 Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sheffield Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method				J Med Chem 58: 9309-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b01312 BindingDB Entry DOI: 10.7270/Q2Z60S2S
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50500403 (CHEMBL3746996) Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12 Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Sheffield Curated by ChEMBL					Assay Description Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay				J Med Chem 58: 9309-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b01312 BindingDB Entry DOI: 10.7270/Q2Z60S2S
					More data for this Ligand-Target Pair