Found 3 hits for monomerid = 445528 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4 [1-477]
(Homo sapiens (Human)) | BDBM445528
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)C(C)(C)O |r,wU:18.19,(5.87,4.29,;5.87,2.75,;7.24,2.05,;7,.53,;5.48,.29,;4.71,-1.04,;4.78,1.66,;3.3,2.06,;2.82,3.52,;1.31,3.84,;.28,2.7,;-1.26,2.7,;-2.29,3.84,;-3.79,3.52,;-4.27,2.06,;-3.24,.92,;-1.73,1.24,;-.49,.33,;-.49,-1.21,;.85,-1.98,;2.18,-1.21,;3.51,-1.98,;3.51,-3.52,;2.18,-4.29,;.85,-3.52,;-1.82,-1.98,;-3.15,-1.21,;-4.49,-1.98,;-4.49,-3.52,;-3.15,-4.29,;-1.82,-3.52,;.76,1.24,;2.27,.92,;2.74,-.55,;-5.76,1.66,;-6.85,2.75,;-6.16,.17,;-7.24,1.26,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)22-10-11-23-26-24(16-21(17-32-26)30(2,3)37)36(29(23)25(22)31)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4... |
US Patent US10683290 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VWB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM445528
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)C(C)(C)O |r,wU:18.19,(5.87,4.29,;5.87,2.75,;7.24,2.05,;7,.53,;5.48,.29,;4.71,-1.04,;4.78,1.66,;3.3,2.06,;2.82,3.52,;1.31,3.84,;.28,2.7,;-1.26,2.7,;-2.29,3.84,;-3.79,3.52,;-4.27,2.06,;-3.24,.92,;-1.73,1.24,;-.49,.33,;-.49,-1.21,;.85,-1.98,;2.18,-1.21,;3.51,-1.98,;3.51,-3.52,;2.18,-4.29,;.85,-3.52,;-1.82,-1.98,;-3.15,-1.21,;-4.49,-1.98,;-4.49,-3.52,;-3.15,-4.29,;-1.82,-3.52,;.76,1.24,;2.27,.92,;2.74,-.55,;-5.76,1.66,;-6.85,2.75,;-6.16,.17,;-7.24,1.26,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)22-10-11-23-26-24(16-21(17-32-26)30(2,3)37)36(29(23)25(22)31)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128376
BindingDB Entry DOI: 10.7270/Q2KS6WD7 |
More data for this
Ligand-Target Pair | |
Myc proto-oncogene protein
(Homo sapiens (Human)) | BDBM445528
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)C(C)(C)O |r,wU:18.19,(5.87,4.29,;5.87,2.75,;7.24,2.05,;7,.53,;5.48,.29,;4.71,-1.04,;4.78,1.66,;3.3,2.06,;2.82,3.52,;1.31,3.84,;.28,2.7,;-1.26,2.7,;-2.29,3.84,;-3.79,3.52,;-4.27,2.06,;-3.24,.92,;-1.73,1.24,;-.49,.33,;-.49,-1.21,;.85,-1.98,;2.18,-1.21,;3.51,-1.98,;3.51,-3.52,;2.18,-4.29,;.85,-3.52,;-1.82,-1.98,;-3.15,-1.21,;-4.49,-1.98,;-4.49,-3.52,;-3.15,-4.29,;-1.82,-3.52,;.76,1.24,;2.27,.92,;2.74,-.55,;-5.76,1.66,;-6.85,2.75,;-6.16,.17,;-7.24,1.26,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)22-10-11-23-26-24(16-21(17-32-26)30(2,3)37)36(29(23)25(22)31)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-MYC (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128376
BindingDB Entry DOI: 10.7270/Q2KS6WD7 |
More data for this
Ligand-Target Pair | |
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