Found 1892 hits with Last Name = 'storer' and Initial = 'r' 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1 | PDB
MMDB
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PC sid
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| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PDB
Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to alpha4beta2 nAChR in rat cortex |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50067424
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | PDB
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| PDB
Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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PC sid
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086246
(CHEMBL3425758)Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23) | PDB
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120056
(15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...)Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1 | PDB
NCI pathway
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120057
(7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...)Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| Article
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120058
(7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-...)Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PC sid
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Similars
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086248
(CHEMBL3425756)Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086249
(CHEMBL3425755)Show InChI InChI=1S/C17H21N3/c1-18-17-16-8-10-19-9-7-14(16)12-15(20-17)11-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H,18,20) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
NCI pathway
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| DrugBank
PDB
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182669
((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m0/s1 | KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086250
(CHEMBL3425759)Show InChI InChI=1S/C19H25N3/c1-2-10-21-19-18-9-12-20-11-8-16(18)14-17(22-19)13-15-6-4-3-5-7-15/h3-7,14,20H,2,8-13H2,1H3,(H,21,22) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182665
((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m1/s1 | KEGG
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019696
(CHEMBL3286557)Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50301297
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit... |
Bioorg Med Chem Lett 26: 4117-21 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182666
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3Cl)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C34H38ClFN6O5/c1-3-21-16-22(7-6-20(21)2)37-27-18-28(43)41(34(47)38-27)11-5-4-10-39-12-14-40(15-13-39)31-26(36)17-24-30(29(31)35)42(23-8-9-23)19-25(32(24)44)33(45)46/h6-7,16-19,23,37H,3-5,8-15H2,1-2H3,(H,38,47)(H,45,46) | KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50301297
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit... |
Bioorg Med Chem Lett 26: 4117-21 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182667
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-difluor...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3CO)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O6/c1-3-21-14-22(7-6-20(21)2)38-28-16-29(45)42(35(49)39-28)11-5-4-10-40-12-13-41(17-24(40)19-44)32-27(36)15-25-31(30(32)37)43(23-8-9-23)18-26(33(25)46)34(47)48/h6-7,14-16,18,23-24,38,44H,3-5,8-13,17,19H2,1-2H3,(H,39,49)(H,47,48) | KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182662
((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m0/s1 | KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086247
(CHEMBL3425757)Show InChI InChI=1S/C20H27N3/c1-15(2)14-22-20-19-9-11-21-10-8-17(19)13-18(23-20)12-16-6-4-3-5-7-16/h3-7,13,15,21H,8-12,14H2,1-2H3,(H,22,23) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182674
((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m1/s1 | KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086252
(CHEMBL3425762)Show InChI InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182659
(3-{4-[1-(1-tert-butyl-3-carboxy-4-oxo-6-fluoro-7-q...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C(C)(C)C)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H43FN6O5/c1-6-23-17-24(10-9-22(23)2)37-30-20-31(43)41(34(47)38-30)12-8-7-11-39-13-15-40(16-14-39)29-19-28-25(18-27(29)36)32(44)26(33(45)46)21-42(28)35(3,4)5/h9-10,17-21,37H,6-8,11-16H2,1-5H3,(H,38,47)(H,45,46) | KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086251
(CHEMBL3425760)Show InChI InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182663
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3OC)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O6/c1-4-22-17-23(8-7-21(22)2)37-28-19-29(43)41(35(47)38-28)12-6-5-11-39-13-15-40(16-14-39)31-27(36)18-25-30(33(31)48-3)42(24-9-10-24)20-26(32(25)44)34(45)46/h7-8,17-20,24,37H,4-6,9-16H2,1-3H3,(H,38,47)(H,45,46) | KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019685
(CHEMBL3286556)Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM185975
(US9163008, 64 | US9656968, Compound 64)Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)C(N)=O)C(N)=O |r| Show InChI InChI=1S/C20H17ClFN5O3/c1-10(18(23)28)25-17-9-15(19(24)29)26-20(27-17)11-2-5-13(6-3-11)30-16-7-4-12(21)8-14(16)22/h2-10H,1H3,(H2,23,28)(H2,24,29)(H,25,26,27)/t10-/m0/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology method |
Bioorg Med Chem Lett 24: 3690-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182673
(3-{4-[1-(1-(4-fluorophenyl)-3-carboxy-4-oxo-6-fluo...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H38F2N6O5/c1-3-24-18-26(9-6-23(24)2)40-33-21-34(46)44(37(50)41-33)13-5-4-12-42-14-16-43(17-15-42)32-20-31-28(19-30(32)39)35(47)29(36(48)49)22-45(31)27-10-7-25(38)8-11-27/h6-11,18-22,40H,3-5,12-17H2,1-2H3,(H,41,50)(H,48,49) | KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182676
(3-{4-[1-(1-{2,4-difluorophenyl}-3-carboxy-4-oxo-6-...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H37F3N6O5/c1-3-23-16-25(8-6-22(23)2)41-33-20-34(47)45(37(51)42-33)11-5-4-10-43-12-14-44(15-13-43)32-19-31-26(18-29(32)40)35(48)27(36(49)50)21-46(31)30-9-7-24(38)17-28(30)39/h6-9,16-21,41H,3-5,10-15H2,1-2H3,(H,42,51)(H,49,50) | KEGG
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182672
(1-ethyl-7-(4-(4-(4-(3-ethyl-4-methylphenylamino)-2...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3nc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C32H38FN7O5/c1-4-21-16-22(9-8-20(21)3)34-26-18-27(41)40(32(45)35-26)11-7-6-10-37-12-14-39(15-13-37)30-25(33)17-23-28(42)24(31(43)44)19-38(5-2)29(23)36-30/h8-9,16-19,34H,4-7,10-15H2,1-3H3,(H,35,45)(H,43,44) | KEGG
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50393023
(CHEMBL2152688)Show SMILES CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C24H22FN5O4S/c1-35(32,33)30-22(13-18-14-26-15-27-18)24(31)29-23-4-2-3-21(28-23)16-5-9-19(10-6-16)34-20-11-7-17(25)8-12-20/h2-12,14-15,22,30H,13H2,1H3,(H,26,27)(H,28,29,31)/t22-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology method |
Bioorg Med Chem Lett 24: 3690-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182671
(3-{5-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-3-23-17-24(8-7-22(23)2)37-31-20-32(43)41(35(47)38-31)12-6-4-5-11-39-13-15-40(16-14-39)30-19-29-26(18-28(30)36)33(44)27(34(45)46)21-42(29)25-9-10-25/h7-8,17-21,25,37H,3-6,9-16H2,1-2H3,(H,38,47)(H,45,46) | KEGG
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM21688
(1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47) | KEGG
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019682
(CHEMBL3286564)Show InChI InChI=1S/C19H24N4O/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23/h1-5,20H,6-14H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120053
(7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-na...)Show InChI InChI=1S/C14H21NO/c1-4-9-7-10-5-6-11(16)8-12(10)14(2,3)13(9)15/h5-6,8-9,13,16H,4,7,15H2,1-3H3/t9-,13-/m1/s1 | PDB
NCI pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50176073
(3-{4-[Bis-(2-hydroxy-ethyl)-amino]-butyl}-6-(3-eth...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN(CCO)CCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C21H32N4O4/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(28)25(21(29)23-19)9-5-4-8-24(10-12-26)11-13-27/h6-7,14-15,22,26-27H,3-5,8-13H2,1-2H3,(H,23,29) | KEGG
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min) |
J Med Chem 48: 7063-74 (2005)
Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182670
(3-{4-[1-(1-ethyl-3-carboxy-4-oxo-6,8-difluoro-7-qu...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3F)n(CC)cc(C(O)=O)c4=O)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C33H38F2N6O5/c1-4-21-16-22(9-8-20(21)3)36-26-18-27(42)41(33(46)37-26)11-7-6-10-38-12-14-40(15-13-38)30-25(34)17-23-29(28(30)35)39(5-2)19-24(31(23)43)32(44)45/h8-9,16-19,36H,4-7,10-15H2,1-3H3,(H,37,46)(H,44,45) | KEGG
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086245
(CHEMBL3425761)Show InChI InChI=1S/C23H25N3/c1-3-7-18(8-4-1)15-21-16-20-11-13-24-14-12-22(20)23(26-21)25-17-19-9-5-2-6-10-19/h1-10,16,24H,11-15,17H2,(H,25,26) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
DNA polymerase III PolC-type
(Bacillus subtilis) | BDBM50182675
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C34H39FN6O5/c1-3-22-16-23(7-6-21(22)2)36-30-19-31(42)40(34(46)37-30)11-5-4-10-38-12-14-39(15-13-38)29-18-28-25(17-27(29)35)32(43)26(33(44)45)20-41(28)24-8-9-24/h6-7,16-20,24,36H,3-5,8-15H2,1-2H3,(H,37,46)(H,44,45) | KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C |
J Med Chem 49: 1455-65 (2006)
Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1 |
More data for this
Ligand-Target Pair | |
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