Found 2659 hits with Last Name = 'tian' and Initial = 'j' 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 |
|---|
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50608295
(CHEMBL5271774) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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)) | BDBM50605336
(CHEMBL5202831)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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
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)) | BDBM50605348
(CHEMBL5183319)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccnc2C)cc2C(=O)N(Cc3cc(OC)ccn3)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)) | BDBM50605349
(CHEMBL5191181)Show SMILES CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3C2=O)-c2cn(CC)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)) | 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)) | 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
antibodypedia
GoogleScholar
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)) | 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
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 US10844044 (2020)
BindingDB Entry DOI: 10.7270/Q21R6TKB |
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)) | 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 | |
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)) | BDBM50605339
(CHEMBL5171051)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccnc4C4CC4)cc3C2=O)-c2cn(C)nc2C(F)(F)F)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0280 | 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
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)) | BDBM50605324
(CHEMBL5182982)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccncc3C)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0290 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0290 | 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)) | BDBM50605318
(CHEMBL5171315)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3OC)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0330 | 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)) | BDBM50605319
(CHEMBL5171953)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3O)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0350 | 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)) | BDBM50605320
(CHEMBL5202878)Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C)C2=O)cc(OC)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0360 | 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)) | BDBM50605342
(CHEMBL5194215)Show SMILES Cc1nccn1Cc1cc(-c2cn(C)nc2C(F)(F)F)c2CCN(Cc3cccc(C)n3)C(=O)c2c1 | 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 | |
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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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
| |
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)) | 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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| US Patent
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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 | |
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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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)) | BDBM473383
(US10844044, Example 230)Show SMILES C[C@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)c1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C27H25F2N3O2/c1-16-11-23(28)5-6-24(16)21-12-19(15-32-8-9-34-27(32)30)13-22(14-21)26(33)31-18(3)20-4-7-25(29)17(2)10-20/h4-14,18,30H,15H2,1-3H3,(H,31,33)/t18-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473215
(US10844044, Example 98)Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C(F)(F)F)cc(OC)c1 Show InChI InChI=1S/C28H26F4N4O3/c1-35-6-7-36(27(35)33)16-18-8-19(24-5-4-21(29)13-25(24)28(30,31)32)12-20(9-18)26(37)34-15-17-10-22(38-2)14-23(11-17)39-3/h4-14,33H,15-16H2,1-3H3,(H,34,37) | 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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473393
(US10844044, Example 232)Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)C1CC1 |r| Show InChI InChI=1S/C29H27F2N3O2/c1-17-12-24(30)6-7-25(17)22-13-19(16-34-9-10-36-29(34)32)14-23(15-22)28(35)33-27(20-3-4-20)21-5-8-26(31)18(2)11-21/h5-15,20,27,32H,3-4,16H2,1-2H3,(H,33,35)/t27-/m0/s1 | PDB
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| US Patent
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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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50605345
(CHEMBL5190202)Show SMILES Cc1nccn1Cc1cc(-c2cn(C)nc2C(F)(F)F)c2CCN(Cc3ccnc(C)c3)C(=O)c2c1 | 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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473269
(US10844044, Example 202)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C30H29ClF4N6O/c1-2-40-16-23(27(38-40)30(33,34)35)20-11-17(15-39-9-10-41(29(39)36)22-6-7-22)12-21(13-20)28(42)37-26(18-3-4-18)19-5-8-25(32)24(31)14-19/h5,8-14,16,18,22,26,36H,2-4,6-7,15H2,1H3,(H,37,42)/t26-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473270
(US10844044, Example 294)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccoc2=N)cc(c1)C(=O)NCc1ccc(F)c(C)c1 Show InChI InChI=1S/C25H23F4N5O2/c1-3-34-14-20(22(32-34)25(27,28)29)18-9-17(13-33-6-7-36-24(33)30)10-19(11-18)23(35)31-12-16-4-5-21(26)15(2)8-16/h4-11,14,30H,3,12-13H2,1-2H3,(H,31,35) | 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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473273
(US10844044, Example 203)Show SMILES CN1CCN(Cc2cc(cc(c2)-c2cn(C)nc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(C)c2)C1=N |r| Show InChI InChI=1S/C28H30F4N6O/c1-16-10-19(6-7-23(16)29)24(18-4-5-18)34-26(39)21-12-17(14-38-9-8-36(2)27(38)33)11-20(13-21)22-15-37(3)35-25(22)28(30,31)32/h6-7,10-13,15,18,24,33H,4-5,8-9,14H2,1-3H3,(H,34,39)/t24-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473274
(US10844044, Example 295)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(CN2CCOC2=N)cc(c1)C(=O)NCc1ccc(F)c(C)c1 Show InChI InChI=1S/C25H25F4N5O2/c1-3-34-14-20(22(32-34)25(27,28)29)18-9-17(13-33-6-7-36-24(33)30)10-19(11-18)23(35)31-12-16-4-5-21(26)15(2)8-16/h4-5,8-11,14,30H,3,6-7,12-13H2,1-2H3,(H,31,35) | 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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473278
(US10844044, Example 204)Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H29F4N7O/c1-16-9-24(35-13-23(16)30)25(18-3-4-18)36-27(41)20-11-17(14-39-7-8-40(28(39)34)21-5-6-21)10-19(12-20)22-15-38(2)37-26(22)29(31,32)33/h7-13,15,18,21,25,34H,3-6,14H2,1-2H3,(H,36,41)/t25-/m0/s1 | PDB
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| US Patent
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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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473281
(US10844044, Example 114)Show SMILES CCn1ccn(Cc2cc(cc(c2)-c2cccnc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(C)c2)c1=N |r| Show InChI InChI=1S/C30H29F4N5O/c1-3-38-11-12-39(29(38)35)17-19-14-22(24-5-4-10-36-27(24)30(32,33)34)16-23(15-19)28(40)37-26(20-6-7-20)21-8-9-25(31)18(2)13-21/h4-5,8-16,20,26,35H,3,6-7,17H2,1-2H3,(H,37,40)/t26-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473282
(US10844044, Example 205)Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C27H27F4N7O/c1-15-8-22(33-12-21(15)28)23(17-4-5-17)34-25(39)19-10-16(13-38-7-6-36(2)26(38)32)9-18(11-19)20-14-37(3)35-24(20)27(29,30)31/h6-12,14,17,23,32H,4-5,13H2,1-3H3,(H,34,39)/t23-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473285
(US10844044, Example 115)Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C31H29F4N5O/c1-18-13-21(6-9-26(18)32)27(20-4-5-20)38-29(41)23-15-19(17-39-11-12-40(30(39)36)24-7-8-24)14-22(16-23)25-3-2-10-37-28(25)31(33,34)35/h2-3,6,9-16,20,24,27,36H,4-5,7-8,17H2,1H3,(H,38,41)/t27-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473287
(US10844044, Example 298)Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccoc2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C27H24ClF4N5O2/c1-2-37-14-20(24(35-37)27(30,31)32)18-9-15(13-36-7-8-39-26(36)33)10-19(11-18)25(38)34-23(16-3-4-16)17-5-6-22(29)21(28)12-17/h5-12,14,16,23,33H,2-4,13H2,1H3,(H,34,38)/t23-/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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM473290
(US10844044, Example 207)Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C28H28F4N6O2/c1-36-8-9-38(27(36)33)14-16-10-19(21-15-37(2)35-25(21)28(30,31)32)12-20(11-16)26(39)34-24(17-4-5-17)18-6-7-22(29)23(13-18)40-3/h6-13,15,17,24,33H,4-5,14H2,1-3H3,(H,34,39)/t24-/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 | |
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