Found 998 hits with Last Name = 'kohl' 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 |
Mitogen-activated protein kinase 1/3
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation in LoVo cells |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50197517
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of rat NEP |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50197517
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of rabbit NEP |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132262
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28124
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6477
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OC)cc4cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132261
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132260
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132266
(4-[3-Bromo-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-p...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Br)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132264
(4-[3-Chloro-4-(1,4,5-trimethyl-1H-imidazol-2-ylsul...)Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H33ClN6O3S/c1-19-20(2)36(3)30(34-19)41-28-7-6-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(38-4)15-23(25)29)40-11-5-8-37-9-12-39-13-10-37/h6-7,14-16,18H,5,8-13H2,1-4H3,(H,33,35) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197517
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099987
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 4198-211 (2010)
Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28118
(3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1 Show InChI InChI=1S/C30H34ClN7O2S/c1-4-37-11-13-38(14-12-37)9-5-15-40-27-18-25-23(17-26(27)39-3)29(21(19-32)20-34-25)35-22-6-7-28(24(31)16-22)41-30-33-8-10-36(30)2/h6-8,10,16-18,20H,4-5,9,11-15H2,1-3H3,(H,34,35) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099990
(4-(4-Benzyl-phenylamino)-6,7-dimethoxy-quinoline-3...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C25H21N3O2/c1-29-23-13-21-22(14-24(23)30-2)27-16-19(15-26)25(21)28-20-10-8-18(9-11-20)12-17-6-4-3-5-7-17/h3-11,13-14,16H,12H2,1-2H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197513
((S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O Show InChI InChI=1S/C22H31NO5/c1-28-11-8-18(19(25)26)12-21(9-4-5-10-21)20(27)23-22(15-24)13-16-6-2-3-7-17(16)14-22/h2-3,6-7,18,24H,4-5,8-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4531
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28119
(3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(H,32,33) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099983
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099981
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197519
((S)-2-{1-[3-(4-fluoro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C21H30FNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28122
(3-cyanoquinoline, 7 | 6-methoxy-4-({4-[(1-methyl-1...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H30N6O3S/c1-33-10-8-30-28(33)38-22-6-4-21(5-7-22)32-27-20(18-29)19-31-24-17-26(25(35-2)16-23(24)27)37-13-3-9-34-11-14-36-15-12-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3,(H,31,32) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197517
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NEP |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28124
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50316769
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C |r| Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG 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 |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting |
J Med Chem 53: 4198-211 (2010)
Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197507
((S)-4-methoxy-2-{1-[(1R,2S)-2-(4-methoxy-phenyl)-c...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C22H31NO5/c1-27-12-9-16(20(24)25)14-22(10-3-4-11-22)21(26)23-19-13-18(19)15-5-7-17(28-2)8-6-15/h5-8,16,18-19H,3-4,9-14H2,1-2H3,(H,23,26)(H,24,25)/t16-,18+,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28125
(3-cyanoquinoline, 10 | 4-{[3-chloro-4-(pyridin-2-y...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H28ClN5O3S/c1-36-25-16-22-24(17-26(25)38-12-4-9-35-10-13-37-14-11-35)33-19-20(18-31)29(22)34-21-6-7-27(23(30)15-21)39-28-5-2-3-8-32-28/h2-3,5-8,15-17,19H,4,9-14H2,1H3,(H,33,34) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MEK-1 Kinase phosphorylation in LoVo cells |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095235
(6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-4-(4-phenoxy...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCN1CCOCC1)C#N Show InChI InChI=1S/C29H28N4O4/c1-34-27-17-25-26(18-28(27)36-16-13-33-11-14-35-15-12-33)31-20-21(19-30)29(25)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,17-18,20H,11-16H2,1H3,(H,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132263
(4-[3-Chloro-4-(thiazol-2-ylsulfanyl)-phenylamino]-...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccs4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C27H26ClN5O3S2/c1-34-23-14-20-22(15-24(23)36-9-2-6-33-7-10-35-11-8-33)31-17-18(16-29)26(20)32-19-3-4-25(21(28)13-19)38-27-30-5-12-37-27/h3-5,12-15,17H,2,6-11H2,1H3,(H,31,32) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK-1) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132265
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OCC Show InChI InChI=1S/C24H22ClN5O2S/c1-4-31-20-11-17-19(12-21(20)32-5-2)28-14-15(13-26)23(17)29-16-6-7-22(18(25)10-16)33-24-27-8-9-30(24)3/h6-12,14H,4-5H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50109282
(7,8-Dimethoxy-4-(4-phenoxy-phenylamino)-benzo[g]qu...)Show SMILES COc1cc2cc3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3cc2cc1OC Show InChI InChI=1S/C28H21N3O3/c1-32-26-14-18-12-24-25(13-19(18)15-27(26)33-2)30-17-20(16-29)28(24)31-21-8-10-23(11-9-21)34-22-6-4-3-5-7-22/h3-15,17H,1-2H3,(H,30,31) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK-1) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197513
((S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O Show InChI InChI=1S/C22H31NO5/c1-28-11-8-18(19(25)26)12-21(9-4-5-10-21)20(27)23-22(15-24)13-16-6-2-3-7-17(16)14-22/h2-3,6-7,18,24H,4-5,8-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7.4 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50190746
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of rabbit NEP |
J Med Chem 49: 4409-24 (2006)
Article DOI: 10.1021/jm060133g BindingDB Entry DOI: 10.7270/Q2930SS8 |
More data for this Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50190746
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of rabbit NEP |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197517
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7.4 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50190771
((R)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)Show SMILES CCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O Show InChI InChI=1S/C22H31NO4/c1-2-7-18(19(25)26)12-21(10-5-6-11-21)20(27)23-22(15-24)13-16-8-3-4-9-17(16)14-22/h3-4,8-9,18,24H,2,5-7,10-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of dog NEP |
J Med Chem 49: 4409-24 (2006)
Article DOI: 10.1021/jm060133g BindingDB Entry DOI: 10.7270/Q2930SS8 |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197519
((S)-2-{1-[3-(4-fluoro-phenyl)-propylcarbamoyl]-cyc...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C21H30FNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7.4 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50197507
((S)-4-methoxy-2-{1-[(1R,2S)-2-(4-methoxy-phenyl)-c...)Show SMILES COCC[C@H](CC1(CCCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C22H31NO5/c1-27-12-9-16(20(24)25)14-22(10-3-4-11-22)21(26)23-19-13-18(19)15-5-7-17(28-2)8-6-15/h5-8,16,18-19H,3-4,9-14H2,1-2H3,(H,23,26)(H,24,25)/t16-,18+,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13.8 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human kidney NEP at pH 7.4 |
Bioorg Med Chem 15: 142-59 (2006)
Article DOI: 10.1016/j.bmc.2006.10.002 BindingDB Entry DOI: 10.7270/Q2ZS2W4J |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099987
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |