Found 5017 hits with Last Name = 'dan' and Initial = 'n' 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 |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138119
(CHEMBL3753475)Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1 Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM221048
(US9284322, varenicline | US9303017, Varenicline)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138124
(CHEMBL3753901)Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O Show InChI InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538045
(CHEMBL4636163)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cccnc1)NC2 |r| Show InChI InChI=1S/C11H14N2O.ClH/c1-2-9(6-12-3-1)14-7-11-10-4-8(10)5-13-11;/h1-3,6,8,10-11,13H,4-5,7H2;1H/t8-,10-,11+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538008
(CHEMBL4638732)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538046
(CHEMBL4647198)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cncc(Cl)c1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-2-9(5-13-4-8)15-6-11-10-1-7(10)3-14-11;/h2,4-5,7,10-11,14H,1,3,6H2;1H/t7-,10-,11+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538047
(CHEMBL4647019)Show SMILES [H][C@@]12C[C@]1([H])[C@@H](COc1ccc(Cl)nc1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O/c12-11-2-1-8(5-14-11)15-6-10-9-3-7(9)4-13-10/h1-2,5,7,9-10,13H,3-4,6H2/t7-,9-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538027
(CHEMBL4644169)Show SMILES [H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C12H15ClN2O/c1-15-10(2-8-3-12(8)15)7-16-11-4-9(13)5-14-6-11/h4-6,8,10,12H,2-3,7H2,1H3/t8-,10-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50123438
((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells |
Bioorg Med Chem Lett 13: 567-71 (2003)
BindingDB Entry DOI: 10.7270/Q28K78G6 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138119
(CHEMBL3753475)Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1 Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138120
(CHEMBL3753093)Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138122
(CHEMBL3752655)Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538033
(CHEMBL4648557)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1cccnc1Cl)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H/t7-,8+,9+;/m1./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138123
(CHEMBL3753703)Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538030
(CHEMBL4638919)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C12H15FN2O.ClH/c1-15-9(4-8-5-11(8)15)7-16-10-2-3-12(13)14-6-10;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8-,9-,11+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138123
(CHEMBL3753703)Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538038
(CHEMBL4648098)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C11H13FN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8+,10+;/m1./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138117
(CHEMBL3753315)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(C1)C1CCC1 Show InChI InChI=1S/C25H37N3O2/c1-18(2)26-13-10-22(11-14-26)30-23-6-7-24-19(16-23)8-15-28(25(24)29)21-9-12-27(17-21)20-4-3-5-20/h6-7,16,18,20-22H,3-5,8-15,17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210930
(UCP1173)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538036
(CHEMBL4634253)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(C)nc1)C2 |r| Show InChI InChI=1S/C12H16N2O.ClH/c1-8-2-3-11(6-13-8)15-7-10-4-9-5-12(9)14-10;/h2-3,6,9-10,12,14H,4-5,7H2,1H3;1H/t9-,10+,12+;/m1./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402702
(CHEMBL2207386)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538063
(CHEMBL4642118)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536185
(CHEMBL4588910 | US10870625, Compound 57)Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccncc1 |r| Show InChI InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138106
(CHEMBL3753814)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H37N3O2/c1-18(2)26-14-10-20(11-15-26)25-24(28)19-6-8-22(9-7-19)29-23-12-16-27(17-13-23)21-4-3-5-21/h6-9,18,20-21,23H,3-5,10-17H2,1-2H3,(H,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210931
(UCP1175)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138118
(CHEMBL3754200)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(CC1)C1CCC1 Show InChI InChI=1S/C26H39N3O2/c1-19(2)27-15-11-23(12-16-27)31-24-6-7-25-20(18-24)8-17-29(26(25)30)22-9-13-28(14-10-22)21-4-3-5-21/h6-7,18-19,21-23H,3-5,8-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50054245
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells |
J Med Chem 48: 1540-9 (2005)
Article DOI: 10.1021/jm049339c BindingDB Entry DOI: 10.7270/Q29P32DN |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104946
((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells |
Bioorg Med Chem Lett 13: 567-71 (2003)
BindingDB Entry DOI: 10.7270/Q28K78G6 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138124
(CHEMBL3753901)Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O Show InChI InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210927
(UCP1039)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM210929
(UCP1172)Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50138104
(CHEMBL3754209)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCN(C1)C1CCC1 Show InChI InChI=1S/C23H35N3O2/c1-17(2)25-14-11-22(12-15-25)28-21-8-6-18(7-9-21)23(27)24-19-10-13-26(16-19)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor |
Eur J Med Chem 108: 655-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.005 BindingDB Entry DOI: 10.7270/Q2F191KF |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536188
(CHEMBL4532935)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccncc1 Show InChI InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)15-10-17(14-6-8-25-9-7-14)20-19(11-15)28-12-29-20/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536186
(CHEMBL4483572)Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50410281
(CHEMBL2094063)Show SMILES CCCC[C@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells |
J Med Chem 48: 1540-9 (2005)
Article DOI: 10.1021/jm049339c BindingDB Entry DOI: 10.7270/Q29P32DN |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50123436
((3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...)Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells |
Bioorg Med Chem Lett 13: 567-71 (2003)
BindingDB Entry DOI: 10.7270/Q28K78G6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538014
(CHEMBL4637076)Show SMILES OC(=O)C(O)=O.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(c1)C#CCCCCO)C2 |r| Show InChI InChI=1S/C17H22N2O2.C2H2O4/c20-6-4-2-1-3-5-13-7-16(11-18-10-13)21-12-15-8-14-9-17(14)19-15;3-1(4)2(5)6/h7,10-11,14-15,17,19-20H,1-2,4,6,8-9,12H2;(H,3,4)(H,5,6)/t14-,15-,17+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50429697
(CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402705
(CHEMBL2207368)Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12 Show InChI InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538035
(CHEMBL4634110)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1cncc(Br)c1)C2 |r| Show InChI InChI=1S/C11H13BrN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9+,11+;/m1./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50123435
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Ability of compound to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells |
Bioorg Med Chem Lett 13: 567-71 (2003)
BindingDB Entry DOI: 10.7270/Q28K78G6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402701
(CHEMBL2207388)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538029
(CHEMBL4648968)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c1-15-9(4-8-5-11(8)15)7-16-10-2-3-12(13)14-6-10;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8-,9-,11+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538041
(CHEMBL4642769)Show InChI InChI=1S/C12H16N2O.ClH/c1-12-6-9(12)5-10(14-12)8-15-11-3-2-4-13-7-11;/h2-4,7,9-10,14H,5-6,8H2,1H3;1H/t9-,10?,12+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538064
(CHEMBL4642865)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C11H13FN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50162472
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1 Show InChI InChI=1S/C24H31ClN4O/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells |
J Med Chem 48: 1540-9 (2005)
Article DOI: 10.1021/jm049339c BindingDB Entry DOI: 10.7270/Q29P32DN |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538028
(CHEMBL4634727)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Br)c1)C2 |r| Show InChI InChI=1S/C12H15BrN2O.ClH/c1-15-10(2-8-3-12(8)15)7-16-11-4-9(13)5-14-6-11;/h4-6,8,10,12H,2-3,7H2,1H3;1H/t8-,10-,12+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Staphylococcus aureus) | BDBM50536187
(CHEMBL3527091)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1OC)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... |
J Med Chem 59: 6493-500 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00688 BindingDB Entry DOI: 10.7270/Q2MW2MPB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |