BDBM252939 US9464076, 91

SMILES: COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(=O)[C@@H](N)CO)cccc4n3)c(C)c12

InChI Key: InChIKey=QZEOMSKFXKTAFF-FQEVSTJZSA-N

Data: 1 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 1 hit for monomerid = 252939   

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
Phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM252939 (US9464076, 91) Show SMILES COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(=O)[C@@H](N)CO)cccc4n3)c(C)c12 |r| Show InChI InChI=1S/C27H27N3O6S/c1-14-23-17(12-35-3)7-8-18(15(2)32)25(23)37-24(14)26(33)30-22-10-9-19-16(5-4-6-21(19)29-22)13-36-27(34)20(28)11-31/h4-10,20,31H,11-13,28H2,1-3H3,(H,29,30,33)/t20-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	7.5	4
Daiichi Sankyo Company, Limited US Patent					Assay Description A human acute lymphoblastic lymphoma T cell line MOLT-4 (which can be purchased under ATCC No. CRL-1582 from ATCC) was cultured in an RPMI1640 medium...				US Patent US9464076 (2016) BindingDB Entry DOI: 10.7270/Q2JS9PC4
					More data for this Ligand-Target Pair