BDBM50520336 CHEMBL4470042

SMILES: Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1

InChI Key: InChIKey=XLDHVTAGYSWHEX-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 = 50520336   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50520336 (CHEMBL4470042) Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1 Show InChI InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,27H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Medicines Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using cAMP substrate by HTRF assay				J Med Chem 63: 4430-4444 (2020) Article DOI: 10.1021/acs.jmedchem.9b01581
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50520336 (CHEMBL4470042) Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1 Show InChI InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,27H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...				Bioorg Med Chem 27: 3692-3706 (2019) Article DOI: 10.1016/j.bmc.2019.07.010
					More data for this Ligand-Target Pair