BDBM50204594 CHEMBL3980015::US10285989, Example 143

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

InChI Key: InChIKey=HIXHPTMNHXGXPS-SECBINFHSA-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 = 50204594   

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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50204594 (CHEMBL3980015 | US10285989, Example 143) Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.320	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))	BDBM50204594 (CHEMBL3980015 | US10285989, Example 143) Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	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))	BDBM50204594 (CHEMBL3980015 | US10285989, Example 143) Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.570	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))	BDBM50204594 (CHEMBL3980015 | US10285989, Example 143) Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/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))	BDBM50204594 (CHEMBL3980015 | US10285989, Example 143) Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.820	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