BDBM50511632 CHEMBL4445645

SMILES: C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1

InChI Key: InChIKey=VFNPUAOAEFMXQI-GASCZTMLSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50511632   

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
BCoR-BCL6 (Homo sapiens)	BDBM50511632 (CHEMBL4445645) Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r| Show InChI InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay				J Med Chem 63: 4047-4068 (2020) Article DOI: 10.1021/acs.jmedchem.9b02076
					More data for this Ligand-Target Pair				3D Structure (crystal)