Found 2 hits of ki for monomerid = 50264154 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 |
|---|
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50264154
(CHEMBL4100832)Show SMILES [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cc(OC)cc(c1)C#N |r,wU:7.7,wD:15.16,18.24,c:5,(11.32,-9.82,;12.86,-9.82,;12.09,-8.49,;13.83,-8.62,;15.26,-9.17,;16.55,-8.33,;15.19,-10.71,;13.7,-11.11,;12.22,-11.6,;10.88,-10.83,;9.56,-11.6,;9.55,-13.15,;10.89,-13.92,;12.22,-13.15,;13.7,-13.63,;14.61,-12.37,;15.69,-11.28,;17.17,-11.68,;17.57,-13.17,;16.48,-14.25,;15,-13.85,;19.06,-13.57,;19.45,-15.06,;8.22,-10.83,;6.9,-11.6,;5.57,-10.84,;4.24,-11.62,;2.9,-10.85,;5.56,-9.29,;6.9,-8.52,;8.23,-9.29,;6.9,-6.98,;6.9,-5.44,)| Show InChI InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1/i15D2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 (1 to 473 residues) fused with Fc domain of IgG1 expressed in HEK293 cells preincubated for 10 mins followed by substrate a... |
J Med Chem 61: 3491-3502 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01716
BindingDB Entry DOI: 10.7270/Q2TX3HVX |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50264154
(CHEMBL4100832)Show SMILES [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cc(OC)cc(c1)C#N |r,wU:7.7,wD:15.16,18.24,c:5,(11.32,-9.82,;12.86,-9.82,;12.09,-8.49,;13.83,-8.62,;15.26,-9.17,;16.55,-8.33,;15.19,-10.71,;13.7,-11.11,;12.22,-11.6,;10.88,-10.83,;9.56,-11.6,;9.55,-13.15,;10.89,-13.92,;12.22,-13.15,;13.7,-13.63,;14.61,-12.37,;15.69,-11.28,;17.17,-11.68,;17.57,-13.17,;16.48,-14.25,;15,-13.85,;19.06,-13.57,;19.45,-15.06,;8.22,-10.83,;6.9,-11.6,;5.57,-10.84,;4.24,-11.62,;2.9,-10.85,;5.56,-9.29,;6.9,-8.52,;8.23,-9.29,;6.9,-6.98,;6.9,-5.44,)| Show InChI InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1/i15D2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 (1 to 460 residues) fused with Fc domain of IgG1 expressed in HEK293 cells preincubated for 10 mins followed by substrate a... |
J Med Chem 61: 3491-3502 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01716
BindingDB Entry DOI: 10.7270/Q2TX3HVX |
More data for this
Ligand-Target Pair | |
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