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BDBM235812 US9359399, 26

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)N1CCC2(CCN(C)C2=O)CC1

InChI Key: InChIKey=RGIWKYSQWNUZRQ-JAJBZFNUNA-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 = 235812   
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))
BDBM235812
PNG
(US9359399, 26)
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)N1CCC2(CCN(C)C2=O)CC1 |r|
Show InChI InChI=1/C39H57N7O5/c1-27(2)24-32(35(48)42-31(16-10-11-20-40)37(50)46-22-18-39(19-23-46)17-21-45(3)38(39)51)44-36(49)33(26-29-14-8-5-9-15-29)43-34(47)30(41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,40-41H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)/t30-,31-,32-,33-/s2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00830n/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))
BDBM235812
PNG
(US9359399, 26)
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)N1CCC2(CCN(C)C2=O)CC1 |r|
Show InChI InChI=1/C39H57N7O5/c1-27(2)24-32(35(48)42-31(16-10-11-20-40)37(50)46-22-18-39(19-23-46)17-21-45(3)38(39)51)44-36(49)33(26-29-14-8-5-9-15-29)43-34(47)30(41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,40-41H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)/t30-,31-,32-,33-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0194n/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