Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B' and Ligand = 'BDBM289647'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289647 (11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM				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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289647 (11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289647 (11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289647 (11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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