BDBM50223496 CHEMBL282347
SMILES: Cl.CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C(=O)C(N)CCSC
InChI Key: InChIKey=BANVRIRQVNSFAJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50223496 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 |
|---|
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223496
(CHEMBL282347)Show SMILES Cl.CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C(=O)C(N)CCSC |TLB:11:12:3:18.17.16| Show InChI InChI=1S/C21H32N2O2S.ClH/c1-4-16-19-12-14-6-7-15(24)13-17(14)21(16,5-2)9-10-23(19)20(25)18(22)8-11-26-3;/h6-7,13,16,18-19,24H,4-5,8-12,22H2,1-3H3;1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in presence of NaCl (100 mM) |
J Med Chem 24: 1297-9 (1981)
BindingDB Entry DOI: 10.7270/Q20C4XZN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223496
(CHEMBL282347)Show SMILES Cl.CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C(=O)C(N)CCSC |TLB:11:12:3:18.17.16| Show InChI InChI=1S/C21H32N2O2S.ClH/c1-4-16-19-12-14-6-7-15(24)13-17(14)21(16,5-2)9-10-23(19)20(25)18(22)8-11-26-3;/h6-7,13,16,18-19,24H,4-5,8-12,22H2,1-3H3;1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in absence of NaCl |
J Med Chem 24: 1297-9 (1981)
BindingDB Entry DOI: 10.7270/Q20C4XZN |
More data for this
Ligand-Target Pair | |
Search and Browse
