Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50044999   

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))	BDBM50041010 (BAY-736691 | CHEMBL1513993) Show SMILES C[C@H](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)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041010 (BAY-736691 | CHEMBL1513993) Show SMILES C[C@H](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)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE9A2 using [3H]cGMP as substrate by scintillation proximity assay				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041016 (CHEMBL3355396) Show SMILES COc1ccccc1\C=C\[C@H]1OC[C@H](C\C=C\c2c(OC)cccc2OC)[C@H](O1)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C32H36O7/c1-33-25-14-7-6-11-22(25)19-20-30-38-21-23(12-8-13-24-26(34-2)15-9-16-27(24)35-3)32(39-30)31-28(36-4)17-10-18-29(31)37-5/h6-11,13-20,23,30,32H,12,21H2,1-5H3/b13-8+,20-19+/t23-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041015 (CHEMBL3355397) Show SMILES COc1ccccc1\C=C\C[C@H]1CO[C@@H](O[C@@H]1c1ccccc1OC)\C=C\c1ccccc1OC |r| Show InChI InChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041011 (CHEMBL3355401) Show SMILES COc1ccccc1\C=C\C[C@@H]1CO[C@H](O[C@H]1c1ccccc1OC)\C=C\c1ccccc1OC |r| Show InChI InChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041013 (CHEMBL3355399) Show SMILES COc1ccccc1\C=C\[C@@H]1OC[C@@H](C\C=C\c2c(OC)cccc2OC)[C@@H](O1)c1ccccc1OC |r| Show InChI InChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041012 (CHEMBL3355400) Show SMILES COc1ccccc1\C=C\[C@@H]1OC[C@@H](C\C=C\c2c(OC)cccc2OC)[C@@H](O1)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C32H36O7/c1-33-25-14-7-6-11-22(25)19-20-30-38-21-23(12-8-13-24-26(34-2)15-9-16-27(24)35-3)32(39-30)31-28(36-4)17-10-18-29(31)37-5/h6-11,13-20,23,30,32H,12,21H2,1-5H3/b13-8+,20-19+/t23-,30-,32-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041014 (CHEMBL3355398) Show SMILES COc1ccc(cc1OC)[C@@H]1O[C@@H](OC[C@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC |r| Show InChI InChI=1S/C32H36O7/c1-33-26-13-7-6-10-22(26)17-19-31-38-21-24(11-8-12-25-27(34-2)14-9-15-28(25)35-3)32(39-31)23-16-18-29(36-4)30(20-23)37-5/h6-10,12-20,24,31-32H,11,21H2,1-5H3/b12-8+,19-17+/t24-,31-,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041017 (CHEMBL3355395) Show SMILES COc1ccccc1\C=C\[C@H]1OC[C@H](C\C=C\c2c(OC)cccc2OC)[C@H](O1)c1ccccc1OC |r| Show InChI InChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50041018 (CHEMBL3355394) Show SMILES COc1ccc(cc1OC)[C@H]1O[C@H](OC[C@@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC |r| Show InChI InChI=1S/C32H36O7/c1-33-26-13-7-6-10-22(26)17-19-31-38-21-24(11-8-12-25-27(34-2)14-9-15-28(25)35-3)32(39-31)23-16-18-29(36-4)30(20-23)37-5/h6-10,12-20,24,31-32H,11,21H2,1-5H3/b12-8+,19-17+/t24-,31-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...				J Nat Prod 77: 2651-7 (2014) Article DOI: 10.1021/np500528u BindingDB Entry DOI: 10.7270/Q2N87CDV
					More data for this Ligand-Target Pair