BDBM50447144 CHEMBL3112895::US9023354, AD4-12917

SMILES: Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1

InChI Key: InChIKey=WTBOEJUBSJEKIB-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 = 50447144   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50447144 (CHEMBL3112895 | US9023354, AD4-12917) Show SMILES Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1 Show InChI InChI=1S/C22H17Cl2N3O/c1-13-8-10-25-19(11-13)27-20(15-5-7-17(23)18(24)12-15)16-6-4-14-3-2-9-26-21(14)22(16)28/h2-12,20,28H,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...				J Med Chem 57: 669-76 (2014) Article DOI: 10.1021/jm4012164 BindingDB Entry DOI: 10.7270/Q2GH9KDZ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50447144 (CHEMBL3112895 | US9023354, AD4-12917) Show SMILES Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1 Show InChI InChI=1S/C22H17Cl2N3O/c1-13-8-10-25-19(11-13)27-20(15-5-7-17(23)18(24)12-15)16-6-4-14-3-2-9-26-21(14)22(16)28/h2-12,20,28H,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	25
TBA US Patent					Assay Description The following example describes an assay that measured the ability of compounds to inhibit the binding of p53 to MDM2 using the AlphaScreen assay tec...				US Patent US9023354 (2015) BindingDB Entry DOI: 10.7270/Q26M35KH
					More data for this Ligand-Target Pair