Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'fiorito' and Initial = 'j'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-spiperone from DRD2 in rat striatum by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-7-OH-DPAT from DRD3 in rat olfactory tubercle by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50550237 (CHEMBL4747257) Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50335605 ((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...) Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-spiperone from DRD2 in rat striatum by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-7-OH-DPAT from DRD3 in rat olfactory tubercle by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50550237 (CHEMBL4747257) Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-7-OH-DPAT from DRD3 in rat olfactory tubercle by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50550237 (CHEMBL4747257) Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-spiperone from DRD2 in rat striatum by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50335605 ((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...) Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50335605 ((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...) Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM36184 (4-phenylbutanoate) Show SMILES [O-]C(=O)CCCc1ccccc1 Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Eur J Med Chem 46: 433-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.012 BindingDB Entry DOI: 10.7270/Q2FF3SN9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50003616 (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22W8
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241840 (CHEMBL4072903 | US10899756, Compound K) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241840 (CHEMBL4072903 | US10899756, Compound K) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480487 (US10626113, Compound D | US10899756, Compound D) Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480487 (US10626113, Compound D | US10899756, Compound D) Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428976 (CHEMBL2333219) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)C2CC2)cc1Cl Show InChI InChI=1S/C22H20ClN3O2/c1-28-20-5-2-13(8-19(20)23)10-25-21-16(12-27)11-26-22-17(15-3-4-15)6-14(9-24)7-18(21)22/h2,5-8,11,15,27H,3-4,10,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.277	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241842 (CHEMBL4064315 | US10899756, Compound M) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C(F)(F)F Show InChI InChI=1S/C22H19ClF3N3O2/c1-3-29-11-17-19(21(29)30)20(27-10-12-4-7-18(31-2)15(23)8-12)14-9-13(22(24,25)26)5-6-16(14)28-17/h4-9H,3,10-11H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair

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