BDBM289618 6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one::US10092575, Example 106::US10376514, Example 106
SMILES: Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C2COC2)cc1
InChI Key: InChIKey=YNHRARXBLWKRFA-UHFFFAOYSA-N
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 |
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Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | <100 | n/a | n/a | n/a | 25 |
Dart NeuroScience (Cayman) Ltd. US Patent | Assay Description The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time. Into e... | US Patent US10092575 (2018) BindingDB Entry DOI: 10.7270/Q2514181 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | 25 |
DART NEUROSCIENCE (CAYMAN) LTD. US Patent | Assay Description PDE1B inhibition was determined by an IMAP TR-FRET assay. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or c... | US Patent US10105367 (2018) BindingDB Entry DOI: 10.7270/Q2KW5J3Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience (Cayman) Ltd US Patent | Assay Description The selectivity of compounds of the present invention was determined using a panel of recombinant human PDEs and an in vitro enzymatic assay (BPS Bio... | US Patent US10376514 (2019) BindingDB Entry DOI: 10.7270/Q2ST7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM289618 (6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...) | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair |