BDBM50204598 CHEMBL3933723::US10285989, Example 88

SMILES: CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1

InChI Key: InChIKey=GEDIOFTUVMVVFP-GFCCVEGCSA-N

Data: 5 KI

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 5 hits for monomerid = 50204598   

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 (Macaca mulatta (Rhesus macaque))	BDBM50204598 (CHEMBL3933723 | US10285989, Example 88) Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H19F3N4O2S/c1-4-12(10-5-7-11(8-6-10)27-17(18,19)20)21-15(26)13-9-14(25)23-16(22-13)24(2)3/h5-9,12H,4H2,1-3H3,(H,21,26)(H,22,23,25)/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of rhesus monkey PDE2A3 expressed in AD293 cells using FAM-labeled cAMP as substrate after 60 mins in presence of cGMP by florescence pola...				ACS Med Chem Lett 8: 17-18 (2017) Article DOI: 10.1021/acsmedchemlett.6b00514 BindingDB Entry DOI: 10.7270/Q24M96HP
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM50204598 (CHEMBL3933723 | US10285989, Example 88) Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H19F3N4O2S/c1-4-12(10-5-7-11(8-6-10)27-17(18,19)20)21-15(26)13-9-14(25)23-16(22-13)24(2)3/h5-9,12H,4H2,1-3H3,(H,21,26)(H,22,23,25)/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q24Q7X9Z
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM50204598 (CHEMBL3933723 | US10285989, Example 88) Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H19F3N4O2S/c1-4-12(10-5-7-11(8-6-10)27-17(18,19)20)21-15(26)13-9-14(25)23-16(22-13)24(2)3/h5-9,12H,4H2,1-3H3,(H,21,26)(H,22,23,25)/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q24Q7X9Z
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50204598 (CHEMBL3933723 | US10285989, Example 88) Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H19F3N4O2S/c1-4-12(10-5-7-11(8-6-10)27-17(18,19)20)21-15(26)13-9-14(25)23-16(22-13)24(2)3/h5-9,12H,4H2,1-3H3,(H,21,26)(H,22,23,25)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q24Q7X9Z
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50204598 (CHEMBL3933723 | US10285989, Example 88) Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H19F3N4O2S/c1-4-12(10-5-7-11(8-6-10)27-17(18,19)20)21-15(26)13-9-14(25)23-16(22-13)24(2)3/h5-9,12H,4H2,1-3H3,(H,21,26)(H,22,23,25)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q24Q7X9Z
					More data for this Ligand-Target Pair