Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50010269   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50064858 ((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092632 (8-(3-Nitro-phenyl)-6-pyridin-4-ylmethyl-quinoline ...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12 Show InChI InChI=1S/C21H15N3O2/c25-24(26)19-5-1-3-17(14-19)20-13-16(11-15-6-9-22-10-7-15)12-18-4-2-8-23-21(18)20/h1-10,12-14H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092630 (8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline ...) Show SMILES [N-]=[N+]=Nc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12 Show InChI InChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092626 (8-(3-Azido-phenyl)-6-(4-iodo-imidazol-1-ylmethyl)-...) Show SMILES Ic1cn(Cc2cc(-c3cccc(c3)N=[N+]=[N-])c3ncccc3c2)cn1 Show InChI InChI=1S/C19H13IN6/c20-18-11-26(12-23-18)10-13-7-15-4-2-6-22-19(15)17(8-13)14-3-1-5-16(9-14)24-25-21/h1-9,11-12H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092623 (3-Benzyl-5-phenyl-3,5-dihydro-1,3,5,6-tetraaza-cyc...) Show SMILES O=c1n(-c2ccccc2)c2ncccc2c2ncn(Cc3ccccc3)c12 Show InChI InChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092633 (8-(3-Azido-phenyl)-6-iodo-quinoline | CHEMBL127994) Show SMILES Ic1cc(-c2cccc(c2)N=[N+]=[N-])c2ncccc2c1 Show InChI InChI=1S/C15H9IN4/c16-12-7-11-4-2-6-18-15(11)14(9-12)10-3-1-5-13(8-10)19-20-17/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092627 (8-(5-Azido-2-iodo-phenyl)-6-pyridin-4-ylmethyl-qui...) Show SMILES Ic1ccc(cc1-c1cc(Cc2ccncc2)cc2cccnc12)N=[N+]=[N-] Show InChI InChI=1S/C21H14IN5/c22-20-4-3-17(26-27-23)13-18(20)19-12-15(10-14-5-8-24-9-6-14)11-16-2-1-7-25-21(16)19/h1-9,11-13H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092624 (6-Imidazol-1-ylmethyl-8-phenyl-quinoline | CHEMBL4...) Show SMILES C(c1cc(-c2ccccc2)c2ncccc2c1)n1ccnc1 Show InChI InChI=1S/C19H15N3/c1-2-5-16(6-3-1)18-12-15(13-22-10-9-20-14-22)11-17-7-4-8-21-19(17)18/h1-12,14H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092629 (CHEMBL123576 | [8-(3-Iodo-phenyl)-quinolin-6-yl]-p...) Show SMILES Ic1cccc(c1)-c1cc(cc2cccnc12)C(=O)c1ccccc1 Show InChI InChI=1S/C22H14INO/c23-19-10-4-8-16(13-19)20-14-18(12-17-9-5-11-24-21(17)20)22(25)15-6-2-1-3-7-15/h1-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092628 (6-Azido-8-(3-iodo-phenyl)-quinoline | CHEMBL124575) Show SMILES Ic1cccc(c1)-c1cc(cc2cccnc12)N=[N+]=[N-] Show InChI InChI=1S/C15H9IN4/c16-12-5-1-3-10(7-12)14-9-13(19-20-17)8-11-4-2-6-18-15(11)14/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092631 (4-(3-Cyclopentyloxy-4-methoxy-phenyl)-1-[3-iodo-5-...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2cc(I)cc(c2)C2(N=N2)C(F)(F)F)C(=O)C1 |c:29| Show InChI InChI=1S/C25H25F3IN3O3/c1-34-21-7-6-16(10-22(21)35-20-4-2-3-5-20)17-11-23(33)32(14-17)13-15-8-18(12-19(29)9-15)24(30-31-24)25(26,27)28/h6-10,12,17,20H,2-5,11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50092625 (3-[3-Iodo-5-(3-trifluoromethyl-3H-diazirin-3-yl)-b...) Show SMILES FC(F)(F)C1(N=N1)c1cc(I)cc(Cn2cnc3c2c(=O)n(-c2ccccc2)c2ncccc32)c1 |c:5| Show InChI InChI=1S/C24H14F3IN6O/c25-24(26,27)23(31-32-23)15-9-14(10-16(28)11-15)12-33-13-30-19-18-7-4-8-29-21(18)34(22(35)20(19)33)17-5-2-1-3-6-17/h1-11,13H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50064858 ((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4A expressed in Sf9 cells				J Med Chem 43: 3820-3 (2000) BindingDB Entry DOI: 10.7270/Q23T9GG9
					More data for this Ligand-Target Pair