null
SMILES: Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChI Key:
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50571188 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 |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50571188
(CHEMBL4874244)Show SMILES Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:1,TLB:20:9:6:4.8.3,THB:2:3:6:11.10.9| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB-reagent based Ellman's method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128100 BindingDB Entry DOI: 10.7270/Q2WD44BG |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50571188
(CHEMBL4874244)Show SMILES Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:1,TLB:20:9:6:4.8.3,THB:2:3:6:11.10.9| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human nNOS |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128100 BindingDB Entry DOI: 10.7270/Q2WD44BG |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50571188
(CHEMBL4874244)Show SMILES Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:1,TLB:20:9:6:4.8.3,THB:2:3:6:11.10.9| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human BuChE using butyrylthiocholine as substrate by Ellman's method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128100 BindingDB Entry DOI: 10.7270/Q2WD44BG |
More data for this Ligand-Target Pair | |