BDBM476574 US10875867, Example 82b

SMILES: OC1COCC[C@@]1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F

InChI Key: InChIKey=UJGWIIRMROONFF-BDPMCISCSA-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 = 476574   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM476574 (US10875867, Example 82b) Show SMILES OC1COCC[C@@]1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)/t18?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US10875867 (2020)
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM476574 (US10875867, Example 82b) Show SMILES OC1COCC[C@@]1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)/t18?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US10875867 (2020)
					More data for this Ligand-Target Pair