new BindingDB logo
myBDB logout

BDBM235815 US9359399, 31

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C

InChI Key: InChIKey=UDYRMJLVCYFSGI-WRLGPLRNNA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 235815   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM235815
PNG
(US9359399, 31)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C |r|
Show InChI InChI=1/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/s2
PDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00420n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM235815
PNG
(US9359399, 31)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C |r|
Show InChI InChI=1/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0216n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair