Found 320 hits with Last Name = 'hulme' and Initial = 'c' 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 |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
Reactome pathway KEGG
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | Reactome pathway KEGG
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| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
Reactome pathway KEGG
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
Reactome pathway KEGG
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| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
Reactome pathway KEGG
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
UniProtKB/SwissProt
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216147
(CHEMBL134237)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C33H34N2O3/c1-37-30-13-12-28(21-31(30)38-29-8-4-5-9-29)33(22-24-14-17-34-18-15-24)16-19-35(32(33)36)23-25-10-11-26-6-2-3-7-27(26)20-25/h2-3,6-7,10-15,17-18,20-21,29H,4-5,8-9,16,19,22-23H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)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
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)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
UniProtKB/SwissProt
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)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
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 175-8 (1998)
BindingDB Entry DOI: 10.7270/Q26T0PTS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50037996
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 42: 3251-64 (1999)
Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM81937
(CAS_9050-30-0 | HS,(+/-) | Heparitin, sulfate)Show SMILES CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O Show InChI InChI=1S/C26H42N2O36S5/c1-5(30)27-6-3-54-8(4-55-66(42,43)44)14(10(6)31)57-26-20(64-69(51,52)53)13(34)17(21(61-26)23(37)38)59-24-9(28-65(39,40)41)16(62-67(45,46)47)15(7(2-29)56-24)58-25-19(63-68(48,49)50)12(33)11(32)18(60-25)22(35)36/h6-21,24-26,28-29,31-34H,2-4H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21-,24+,25+,26+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215950
(CHEMBL55046)Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C26H19Cl2N3O/c1-16-14-31(15-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215392
(CHEMBL131565)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(C(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C27H34N2O5/c1-26(2,3)34-25(31)29-16-13-27(24(29)30,18-19-11-14-28-15-12-19)20-9-10-22(32-4)23(17-20)33-21-7-5-6-8-21/h9-12,14-15,17,21H,5-8,13,16,18H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50071173
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12 Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1 | PDB
Reactome pathway KEGG
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
Reactome pathway KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214362
(CHEMBL102635)Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H25Cl2N3O2/c1-15-12-27(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)26-22-19(24)13-28(30)14-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,29) | PDB
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM81937
(CAS_9050-30-0 | HS,(+/-) | Heparitin, sulfate)Show SMILES CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O Show InChI InChI=1S/C26H42N2O36S5/c1-5(30)27-6-3-54-8(4-55-66(42,43)44)14(10(6)31)57-26-20(64-69(51,52)53)13(34)17(21(61-26)23(37)38)59-24-9(28-65(39,40)41)16(62-67(45,46)47)15(7(2-29)56-24)58-25-19(63-68(48,49)50)12(33)11(32)18(60-25)22(35)36/h6-21,24-26,28-29,31-34H,2-4H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21-,24+,25+,26+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26) | Reactome pathway KEGG
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | PDB
Reactome pathway KEGG
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221 BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Activity at rat MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Activity at human MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215947
(CHEMBL53710)Show SMILES COc1ccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C23H19Cl2N3O2/c1-14-12-28(13-15-3-6-17(30-2)7-4-15)21-9-16(5-8-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29) | PDB
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50079881
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O Show InChI InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/p+1 | PDB MMDB
Reactome pathway KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor Xa |
J Med Chem 42: 3251-64 (1999)
Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Activity at mouse MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040 BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079882
(1-[(R)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-...)Show SMILES C[C@H]1CNc2cc(ccc2C1)S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCCCC1C(O)=O Show InChI InChI=1S/C22H34N6O5S/c1-14-11-15-7-8-16(12-18(15)26-13-14)34(32,33)27-17(5-4-9-25-22(23)24)20(29)28-10-3-2-6-19(28)21(30)31/h7-8,12,14,17,19,26-27H,2-6,9-11,13H2,1H3,(H,30,31)(H4,23,24,25)/p+1/t14-,17-,19?/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 42: 3251-64 (1999)
Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215945
(CHEMBL54988)Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H25Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,27,29) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50070632
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21) | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 42: 3251-64 (1999)
Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215955
(CHEMBL301448)Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cs1 Show InChI InChI=1S/C20H16Cl2N4OS/c1-11-8-26(9-14-10-28-12(2)24-14)18-5-13(3-4-15(11)18)20(27)25-19-16(21)6-23-7-17(19)22/h3-8,10H,9H2,1-2H3,(H,23,25,27) | PDB
UniProtKB/SwissProt
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215125
(CHEMBL102503)Show SMILES Cc1cn(CC2CCCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H25Cl2N3O2/c1-15-11-27(12-16-6-4-2-3-5-7-16)21-10-17(8-9-18(15)21)23(29)26-22-19(24)13-28(30)14-20(22)25/h8-11,13-14,16H,2-7,12H2,1H3,(H,26,29) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214422
(CHEMBL101479)Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-16-13-28(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)27-23-20(25)14-29(31)15-21(23)26/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215127
(CHEMBL102310)Show SMILES Cc1cn(C2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C21H21Cl2N3O2/c1-13-10-26(15-5-3-2-4-6-15)19-9-14(7-8-16(13)19)21(27)24-20-17(22)11-25(28)12-18(20)23/h7-12,15H,2-6H2,1H3,(H,24,27) | PDB
UniProtKB/SwissProt
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215948
(CHEMBL54361)Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C24H21Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216148
(CHEMBL335380)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(CC2CCCCC2)C1=O Show InChI InChI=1S/C29H38N2O3/c1-33-26-12-11-24(19-27(26)34-25-9-5-6-10-25)29(20-22-13-16-30-17-14-22)15-18-31(28(29)32)21-23-7-3-2-4-8-23/h11-14,16-17,19,23,25H,2-10,15,18,20-21H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214506
(CHEMBL323069)Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C26H19Cl2N3O2/c1-16-12-30(13-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)29-25-22(27)14-31(33)15-23(25)28/h2-12,14-15H,13H2,1H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215391
(CHEMBL334765)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccccc2)C1=O Show InChI InChI=1S/C29H32N2O3/c1-33-26-12-11-24(19-27(26)34-25-9-5-6-10-25)29(20-22-13-16-30-17-14-22)15-18-31(28(29)32)21-23-7-3-2-4-8-23/h2-4,7-8,11-14,16-17,19,25H,5-6,9-10,15,18,20-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215953
(CHEMBL292925)Show SMILES COc1ccccc1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H19Cl2N3O2/c1-14-12-28(13-16-5-3-4-6-21(16)30-2)20-9-15(7-8-17(14)20)23(29)27-22-18(24)10-26-11-19(22)25/h3-12H,13H2,1-2H3,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214749
(CHEMBL102741)Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C22H17Cl2N3O2/c1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24/h2-10,12-13H,11H2,1H3,(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(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
UniProtKB/SwissProt
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| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
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| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Displacement of [3H]rolipram binding to guinea pig brain membrane |
Bioorg Med Chem Lett 8: 175-8 (1998)
BindingDB Entry DOI: 10.7270/Q26T0PTS |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215944
(CHEMBL54590)Show SMILES Cc1cn(Cc2cccc3ccccc23)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C26H19Cl2N3O/c1-16-14-31(15-19-7-4-6-17-5-2-3-8-21(17)19)24-11-18(9-10-20(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215057
(CHEMBL322837)Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cs1 Show InChI InChI=1S/C20H16Cl2N4O2S/c1-11-6-25(7-14-10-29-12(2)23-14)18-5-13(3-4-15(11)18)20(27)24-19-16(21)8-26(28)9-17(19)22/h3-6,8-10H,7H2,1-2H3,(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215952
(CHEMBL55203)Show SMILES CCCCCCCn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H25Cl2N3O/c1-3-4-5-6-7-10-27-14-15(2)17-9-8-16(11-20(17)27)22(28)26-21-18(23)12-25-13-19(21)24/h8-9,11-14H,3-7,10H2,1-2H3,(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214380
(CHEMBL323132)Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C24H27Cl2N3O2/c1-16-13-28(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)27-23-20(25)14-29(31)15-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215126
(CHEMBL414417)Show SMILES Cc1cn(Cc2ccc(cc2)C(F)(F)F)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H16Cl2F3N3O2/c1-13-9-30(10-14-2-5-16(6-3-14)23(26,27)28)20-8-15(4-7-17(13)20)22(32)29-21-18(24)11-31(33)12-19(21)25/h2-9,11-12H,10H2,1H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this Ligand-Target Pair | |