Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50335843'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335843 ((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...) Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335843 ((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...) Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335843 ((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...) Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335843 ((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...) Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay				J Med Chem 54: 495-509 (2011) Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
					More data for this Ligand-Target Pair