Found 6318 hits with Last Name = 'meyer' and Initial = 'm' 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 |
|---|
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605332
(CHEMBL5195031)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccnc4)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605325
(CHEMBL5199203)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cc(C)ncc3C)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605330
(CHEMBL5201192)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605323
(CHEMBL5174357)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C(F)(F)F)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50520131
(CHEMBL4588661)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1 Show InChI InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473225
(US10844044, Example 283)Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1F)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H25F6N3O2/c1-15-10-18(4-7-24(15)31)26(17-2-3-17)37-27(39)22-12-16(14-38-8-9-40-28(38)36)11-21(25(22)32)20-6-5-19(30)13-23(20)29(33,34)35/h4-7,10-13,17,26,36H,2-3,8-9,14H2,1H3,(H,37,39)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo... |
US Patent US10844044 (2020)
BindingDB Entry DOI: 10.7270/Q21R6TKB |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM468736
(US10807959, Example 5)Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2ccc(F)nc2C)ccc1Cl |t:13| Show InChI InChI=1S/C25H25ClFN5O/c1-15-9-17(3-5-22(15)26)13-30-24(33)20-11-18(14-31-25-28-7-8-29-25)10-19(12-20)21-4-6-23(27)32-16(21)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,30,33)(H2,28,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo... |
US Patent US10807959 (2020)
BindingDB Entry DOI: 10.7270/Q26Q219X |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605343
(CHEMBL5190556)Show SMILES Cc1nccn1Cc1cc(-c2cn(C)nc2C(F)(F)F)c2CCN(Cc3cc(C)ccn3)C(=O)c2c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605346
(CHEMBL5177738)Show SMILES COc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(C)nc2C(F)(F)F)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605347
(CHEMBL5174178)Show SMILES CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(C)nc2C(F)(F)F)c1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605348
(CHEMBL5183319)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(Cc3cc(OC)ccn3)CCc12 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605349
(CHEMBL5191181)Show SMILES CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(CC)nc2C(F)(F)F)c1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605350
(CHEMBL5177656)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(CCc12)[C@@H](C)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605331
(CHEMBL5190578)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc2C(=O)N(Cc3cc(OC)cc(OC)c3)CCc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605352
(CHEMBL5198319)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(CCc12)[C@H](C1CC1)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605353
(CHEMBL5190717)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(CCc12)[C@@H](C1CC1)c1cc(C)ccn1 |r| | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605350
(CHEMBL5177656)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(CCc12)[C@@H](C)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605336
(CHEMBL5202831)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605355
(CHEMBL5170717)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)[C@@H](C1CC1)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605356
(CHEMBL5170071)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)[C@H](C1CC1)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM468925
(US10807959, Example B64)Show SMILES Cc1nc(F)ccc1-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:14| Show InChI InChI=1S/C24H22Cl2FN5O/c1-14-19(3-5-22(27)32-14)17-8-16(13-31-24-28-6-7-29-24)9-18(11-17)23(33)30-12-15-2-4-20(25)21(26)10-15/h2-5,8-11H,6-7,12-13H2,1H3,(H,30,33)(H2,28,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr... |
US Patent US10807959 (2020)
BindingDB Entry DOI: 10.7270/Q26Q219X |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605322
(CHEMBL5169425)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cc(C)cnc3C)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364856
(CHEMBL1950167)Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)| Show InChI InChI=1S/C19H20N2O2S/c22-24(23)18-4-2-1-3-16(18)17-6-5-15(13-19(17)24)21-12-11-20-9-7-14(21)8-10-20/h1-6,13-14H,7-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605327
(CHEMBL5181314)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3C2=O)-c2cn(C)nc2C)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605329
(CHEMBL5186072)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3C2=O)-c2cc(C)nn2C)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605354
(CHEMBL5179388)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)[C@H](C)c1cc(OC)ccn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605337
(CHEMBL5192283)Show SMILES CCc1nccn1Cc1cc(-c2cn(C)nc2C(F)(F)F)c2CCN(Cc3cc(OC)cc(OC)c3)C(=O)c2c1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605339
(CHEMBL5171051)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccnc4C4CC4)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50060964
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligand |
J Med Chem 40: 3141-3 (1997)
Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50060964
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 478-86 (2002)
Article DOI: 10.1124/jpet.300.2.478
BindingDB Entry DOI: 10.7270/Q2HX1B77 |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605351
(CHEMBL5180435)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(CCc12)[C@H](C)c1cc(OC)ccn1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605324
(CHEMBL5182982)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccncc3C)C2=O)cc(OC)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50060964
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1A |
J Med Chem 43: 1586-603 (2000)
BindingDB Entry DOI: 10.7270/Q29C6WNR |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM468927
(US10807959, Example B74)Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:13| Show InChI InChI=1S/C24H23Cl2N5O/c1-15-8-18(4-5-27-15)19-9-17(14-31-24-28-6-7-29-24)10-20(12-19)23(32)30-13-16-2-3-21(25)22(26)11-16/h2-5,8-12H,6-7,13-14H2,1H3,(H,30,32)(H2,28,29,31) | PDB
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| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr... |
US Patent US10807959 (2020)
BindingDB Entry DOI: 10.7270/Q26Q219X |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM468928
(US10807959, Example B81)Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |t:13| Show InChI InChI=1S/C24H23Cl2N5O/c1-15-6-18(2-3-27-15)19-7-16(14-31-24-28-4-5-29-24)8-20(11-19)23(32)30-13-17-9-21(25)12-22(26)10-17/h2-3,6-12H,4-5,13-14H2,1H3,(H,30,32)(H2,28,29,31) | PDB
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| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr... |
US Patent US10807959 (2020)
BindingDB Entry DOI: 10.7270/Q26Q219X |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605318
(CHEMBL5171315)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3OC)C2=O)cc(OC)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50279404
(CHEMBL447388 | cis-2-(5-Ethoxy-3-pyridinyl)octahyd...)Show InChI InChI=1S/C13H19N3O/c1-2-17-13-3-12(6-15-7-13)16-8-10-4-14-5-11(10)9-16/h3,6-7,10-11,14H,2,4-5,8-9H2,1H3/t10-,11+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605319
(CHEMBL5171953)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3O)C2=O)cc(OC)c1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605320
(CHEMBL5202878)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C)C2=O)cc(OC)c1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM468938
(US10807959, Example B109)Show SMILES COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cc(C)cnc2F)cc(OC)c1 |t:14| Show InChI InChI=1S/C26H28FN5O3/c1-16-6-23(24(27)30-13-16)19-7-17(15-32-26-28-4-5-29-26)8-20(11-19)25(33)31-14-18-9-21(34-2)12-22(10-18)35-3/h6-13H,4-5,14-15H2,1-3H3,(H,31,33)(H2,28,29,32) | PDB
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Vanderbilt University
US Patent
| Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr... |
US Patent US10807959 (2020)
BindingDB Entry DOI: 10.7270/Q26Q219X |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605342
(CHEMBL5194215)Show SMILES Cc1nccn1Cc1cc(-c2cn(C)nc2C(F)(F)F)c2CCN(Cc3cccc(C)n3)C(=O)c2c1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50100221
(7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...)Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C25H29N3O5/c1-31-20-6-4-5-16-17(20)8-7-15-13-27(14-19(15)16)11-12-28-24(29)18-9-10-21(32-2)23(33-3)22(18)26-25(28)30/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland |
J Med Chem 44: 1971-85 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81GH |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50100210
(6-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)Show SMILES COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 Show InChI InChI=1S/C22H25N3O4S/c1-28-18-5-3-4-14-15(18)7-6-13-11-24(12-16(13)14)8-9-25-21(26)20-17(23-22(25)27)10-19(29-2)30-20/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,23,27)/t13-,16+/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland |
J Med Chem 44: 1971-85 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81GH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50279405
(CHEMBL488772 | cis-3-(5-Propyloxy-3-pyridinyl)-3,7...)Show InChI InChI=1S/C14H21N3O/c1-2-3-18-14-4-13(7-16-8-14)17-9-11-5-15-6-12(11)10-17/h4,7-8,11-12,15H,2-3,5-6,9-10H2,1H3/t11-,12+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50520121
(CHEMBL4441671 | US10844044, Example 1)Show SMILES Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34) | PDB
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| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick National Laboratory for Cancer Research
Curated by ChEMBL
| Assay Description
Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer... |
J Med Chem 63: 656-675 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01608
BindingDB Entry DOI: 10.7270/Q2HD801W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605326
(CHEMBL5206455)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3C2=O)-c2conc2C)cc(OC)c1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473480
(US10844044, Example 72)Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ncc(F)cc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H26F5N5O/c1-16-9-19(5-6-24(16)31)25(18-3-4-18)37-27(40)21-11-17(15-39-8-7-38(2)28(39)35)10-20(12-21)26-23(29(32,33)34)13-22(30)14-36-26/h5-14,18,25,35H,3-4,15H2,1-2H3,(H,37,40)/t25-/m0/s1 | PDB
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Vanderbilt University
US Patent
| Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo... |
US Patent US10844044 (2020)
BindingDB Entry DOI: 10.7270/Q21R6TKB |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50278878
(CHEMBL502567 | cis-3-(5-Isopropyloxy-3-pyridinyl)-...)Show InChI InChI=1S/C14H21N3O/c1-10(2)18-14-3-13(6-16-7-14)17-8-11-4-15-5-12(11)9-17/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3/t11-,12+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this
Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605321
(CHEMBL5182077)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3OC)C2=O)cc(OC)c1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00195
BindingDB Entry DOI: 10.7270/Q2JQ153M |
More data for this
Ligand-Target Pair | |
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