Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6465   

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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130500 (US8822479, 11) Show SMILES Cc1ccccc1-n1ncc2c1nc(CC1CCCC1)[nH]c2=O Show InChI InChI=1S/C18H20N4O/c1-12-6-2-5-9-15(12)22-17-14(11-19-22)18(23)21-16(20-17)10-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130499 (US8822479, 5) Show SMILES Clc1ccc(Cl)c(c1)-n1ncc2c1nc(CC1CCCC1)[nH]c2=O Show InChI InChI=1S/C17H16Cl2N4O/c18-11-5-6-13(19)14(8-11)23-16-12(9-20-23)17(24)22-15(21-16)7-10-3-1-2-4-10/h5-6,8-10H,1-4,7H2,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130501 (US8822479, 34) Show SMILES Cc1ccccc1-n1ncc2c1nc(C[C@H]1CCCC[C@@H]1O)[nH]c2=O |r| Show InChI InChI=1S/C19H22N4O2/c1-12-6-2-4-8-15(12)23-18-14(11-20-23)19(25)22-17(21-18)10-13-7-3-5-9-16(13)24/h2,4,6,8,11,13,16,24H,3,5,7,9-10H2,1H3,(H,21,22,25)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130502 (US8822479, 38) Show SMILES Cc1ccncc1-n1ncc2c1nc(CC1CCCC1)[nH]c2=O Show InChI InChI=1S/C17H19N5O/c1-11-6-7-18-10-14(11)22-16-13(9-19-22)17(23)21-15(20-16)8-12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130504 (US8822479, 39-1) Show SMILES CCC(C)Cc1nc2n(ncc2c(=O)[nH]1)-c1cnccc1C Show InChI InChI=1S/C16H19N5O/c1-4-10(2)7-14-19-15-12(16(22)20-14)8-18-21(15)13-9-17-6-5-11(13)3/h5-6,8-10H,4,7H2,1-3H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130498 (US8822479, 2) Show SMILES Cc1cccc(c1C)-n1ncc2c1nc(CC1CCCC1)[nH]c2=O Show InChI InChI=1S/C19H22N4O/c1-12-6-5-9-16(13(12)2)23-18-15(11-20-23)19(24)22-17(21-18)10-14-7-3-4-8-14/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM130503 (US8822479, 37-1) Show SMILES CC(Cc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US8822479 (2014) BindingDB Entry DOI: 10.7270/Q2416VRP
					More data for this Ligand-Target Pair