Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase/endoribonuclease IRE1' and Ligand = 'BDBM627515' 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 |
|---|
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM627515
(N-(4-(4-amino-1-isopropyl-7-((1r,4r)-4-morpholinoc...)Show SMILES CC(C)n1nc(-c2cc(F)c(NS(=O)(=O)c3cc(Cl)ccc3F)cc2F)c2c(N)ncc([C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:32.33,wD:35.40,(-1.98,-2.93,;-.95,-1.79,;.56,-2.11,;-1.42,-.32,;-.52,.92,;-1.42,2.17,;-.95,3.63,;-1.98,4.78,;-1.5,6.24,;-2.53,7.39,;.01,6.56,;.48,8.03,;1.99,8.35,;3.13,9.38,;1.67,9.86,;3.02,7.2,;2.54,5.74,;3.57,4.6,;3.1,3.13,;5.08,4.92,;5.55,6.38,;4.52,7.52,;5,8.99,;1.04,5.42,;.56,3.96,;1.59,2.81,;-2.89,1.69,;-4.22,2.46,;-4.22,4,;-5.55,1.69,;-5.55,.15,;-4.22,-.62,;-4.22,-2.16,;-2.89,-2.93,;-2.89,-4.47,;-4.22,-5.24,;-5.55,-4.47,;-5.55,-2.93,;-4.22,-6.78,;-5.55,-7.55,;-5.55,-9.09,;-4.22,-9.86,;-2.89,-9.09,;-2.89,-7.55,;-2.89,.15,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM627515
(N-(4-(4-amino-1-isopropyl-7-((1r,4r)-4-morpholinoc...)Show SMILES CC(C)n1nc(-c2cc(F)c(NS(=O)(=O)c3cc(Cl)ccc3F)cc2F)c2c(N)ncc([C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:32.33,wD:35.40,(-1.98,-2.93,;-.95,-1.79,;.56,-2.11,;-1.42,-.32,;-.52,.92,;-1.42,2.17,;-.95,3.63,;-1.98,4.78,;-1.5,6.24,;-2.53,7.39,;.01,6.56,;.48,8.03,;1.99,8.35,;3.13,9.38,;1.67,9.86,;3.02,7.2,;2.54,5.74,;3.57,4.6,;3.1,3.13,;5.08,4.92,;5.55,6.38,;4.52,7.52,;5,8.99,;1.04,5.42,;.56,3.96,;1.59,2.81,;-2.89,1.69,;-4.22,2.46,;-4.22,4,;-5.55,1.69,;-5.55,.15,;-4.22,-.62,;-4.22,-2.16,;-2.89,-2.93,;-2.89,-4.47,;-4.22,-5.24,;-5.55,-4.47,;-5.55,-2.93,;-4.22,-6.78,;-5.55,-7.55,;-5.55,-9.09,;-4.22,-9.86,;-2.89,-9.09,;-2.89,-7.55,;-2.89,.15,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
