BDBM289614 6-(4-Chlorobenzyl)-9-benzyl-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 102::US10376514, Example 104

SMILES: Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1

InChI Key: InChIKey=VXDFTBUHLLVVCZ-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

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 8 hits for monomerid = 289614   

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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	550	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))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	550	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))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	550	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))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	550	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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	190	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	550	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM289614 (6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...) Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2	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	490	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human ERG				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