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SMILES: CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1

InChI Key: InChIKey=HLMSREUUDYXLNY-BIYDSLDMSA-N

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 = 235807   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235807
PNG
(US9359399, 21)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1 |r|
Show InChI InChI=1S/C33H49N9O4/c1-2-3-15-26(30(44)41-28(22-38-33(35)36)32(46)42-18-10-16-37-17-19-42)39-31(45)27(21-24-13-8-5-9-14-24)40-29(43)25(34)20-23-11-6-4-7-12-23/h4-9,11-14,25-28,37H,2-3,10,15-22,34H2,1H3,(H,39,45)(H,40,43)(H,41,44)(H4,35,36,38)/t25-,26-,27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.06n/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))
BDBM235807
PNG
(US9359399, 21)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1 |r|
Show InChI InChI=1S/C33H49N9O4/c1-2-3-15-26(30(44)41-28(22-38-33(35)36)32(46)42-18-10-16-37-17-19-42)39-31(45)27(21-24-13-8-5-9-14-24)40-29(43)25(34)20-23-11-6-4-7-12-23/h4-9,11-14,25-28,37H,2-3,10,15-22,34H2,1H3,(H,39,45)(H,40,43)(H,41,44)(H4,35,36,38)/t25-,26-,27-,28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.732n/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