Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'moser' and Initial = 'h'   

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
Peptide deformylase (Escherichia coli)	BDBM50153088 (CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153085 (CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153083 (CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50153086 (CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318156 (CHEMBL1094785 | carmoterol) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50153084 (CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153087 (CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50153080 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H32N4O4/c1-2-3-9-16(14-24(28)15-25)19(26)23-18(12-7-8-13-21)20(27)22-17-10-5-4-6-11-17/h4-6,10-11,15-16,18,28H,2-3,7-9,12-14,21H2,1H3,(H,22,27)(H,23,26)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153081 (CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153079 (CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153087 (CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153082 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...) Show SMILES CCCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCC)CN(O)C=O Show InChI InChI=1S/C21H42N4O4/c1-3-5-7-11-15-23-21(28)19(13-9-10-14-22)24-20(27)18(12-8-6-4-2)16-25(29)17-26/h17-19,29H,3-16,22H2,1-2H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153088 (CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153086 (CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153085 (CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153083 (CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318157 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-di-n-butylindan-...) Show SMILES CCCCc1cc2CC(Cc2cc1CCCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C28H36N2O3/c1-3-5-7-18-13-20-15-22(16-21(20)14-19(18)8-6-4-2)29-17-26(32)23-9-11-25(31)28-24(23)10-12-27(33)30-28/h9-14,22,26,29,31-32H,3-8,15-17H2,1-2H3,(H,30,33)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318158 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-di-n-propylindan...) Show SMILES CCCc1cc2CC(Cc2cc1CCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C26H32N2O3/c1-3-5-16-11-18-13-20(14-19(18)12-17(16)6-4-2)27-15-24(30)21-7-9-23(29)26-22(21)8-10-25(31)28-26/h7-12,20,24,27,29-30H,3-6,13-15H2,1-2H3,(H,28,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318161 (8-Hydroxy-5-[(R)-1-hydroxy-2-(indan-2-ylamino)-eth...) Show SMILES O[C@@H](CNC1Cc2ccccc2C1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C20H20N2O3/c23-17-7-5-15(16-6-8-19(25)22-20(16)17)18(24)11-21-14-9-12-3-1-2-4-13(12)10-14/h1-8,14,18,21,23-24H,9-11H2,(H,22,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153079 (CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318155 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...) Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318160 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethylindan-2-...) Show SMILES Cc1cc2CC(Cc2cc1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C22H24N2O3/c1-12-7-14-9-16(10-15(14)8-13(12)2)23-11-20(26)17-3-5-19(25)22-18(17)4-6-21(27)24-22/h3-8,16,20,23,25-26H,9-11H2,1-2H3,(H,24,27)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318154 (8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-y...) Show SMILES CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153084 (CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50153081 (CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50207120 (3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...) Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1 Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318153 ((2S,3S,4S,5R,6S)-6-(5-((R)-2-(5,6-diethyl-2,3-dihy...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)31-13-21(33)19-5-7-22(24-20(19)6-8-23(34)32-24)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h5-10,18,21,25-28,30-31,33,35-37H,3-4,11-13H2,1-2H3,(H,32,34)(H,38,39)/t21-,25-,26-,27+,28-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50318156 (CHEMBL1094785 | carmoterol) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50318161 (8-Hydroxy-5-[(R)-1-hydroxy-2-(indan-2-ylamino)-eth...) Show SMILES O[C@@H](CNC1Cc2ccccc2C1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C20H20N2O3/c23-17-7-5-15(16-6-8-19(25)22-20(16)17)18(24)11-21-14-9-12-3-1-2-4-13(12)10-14/h1-8,14,18,21,23-24H,9-11H2,(H,22,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50207130 (8-((6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl)...) Show SMILES COc1cc2c(C)ncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C23H27N5O4/c1-12(2)11-28-21-20(22(29)27(4)23(28)30)25-19(26-21)7-14-10-24-13(3)15-8-17(31-5)18(32-6)9-16(14)15/h8-10,12H,7,11H2,1-6H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50207120 (3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...) Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1 Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50318155 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...) Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117734 (8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142 (Bos taurus-Bos taurus (Bovine))	BDBM50117721 (3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against bovine retina phosphodiesterase 6 activity				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117711 (8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117719 (4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117724 (3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50207121 (CHEMBL245648 | N-(4-((8-((6,7-dimethoxyisoquinolin...) Show SMILES COc1cc2cncc(Cc3nc4n(Cc5ccc(NS(=O)(=O)C(C)C)cc5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C28H30N6O6S/c1-16(2)41(37,38)32-20-8-6-17(7-9-20)15-34-26-25(27(35)33(3)28(34)36)30-24(31-26)11-19-14-29-13-18-10-22(39-4)23(40-5)12-21(18)19/h6-10,12-14,16,32H,11,15H2,1-5H3,(H,30,31)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117721 (3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50207123 (8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-3-(3-hyd...) Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)CO)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C22H25N5O5/c1-12(11-28)10-27-20-19(21(29)26(2)22(27)30)24-18(25-20)6-14-9-23-8-13-5-16(31-3)17(32-4)7-15(13)14/h5,7-9,12,28H,6,10-11H2,1-4H3,(H,24,25)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142 (Bos taurus-Bos taurus (Bovine))	BDBM50117715 (3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against bovine retina phosphodiesterase 6 activity				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...				J Med Chem 53: 3675-84 (2010) Article DOI: 10.1021/jm100068m BindingDB Entry DOI: 10.7270/Q27H1JRT
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50207127 (8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-1-methyl...) Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C23H27N5O4/c1-23(2,3)12-28-20-19(21(29)27(4)22(28)30)25-18(26-20)8-14-11-24-10-13-7-16(31-5)17(32-6)9-15(13)14/h7,9-11H,8,12H2,1-6H3,(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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay				Bioorg Med Chem Lett 17: 2376-9 (2007) Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC
					More data for this Ligand-Target Pair

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