BDBM50362304 CHEMBL1939746
SMILES: CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC
InChI Key: InChIKey=YXFFFQHZJOYHAQ-HHHXNRCGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50362304 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50362304
(CHEMBL1939746)Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)31-29(36)37-6-3)34-16-14-32(15-17-34)19-26-20-38-21-30-26/h7-13,18,20-21,27H,4-6,14-17,19H2,1-3H3,(H,31,36)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Erg |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362304
(CHEMBL1939746)Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)31-29(36)37-6-3)34-16-14-32(15-17-34)19-26-20-38-21-30-26/h7-13,18,20-21,27H,4-6,14-17,19H2,1-3H3,(H,31,36)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
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