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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)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=WHUIZCHLXSBHLW-JSMUHSIHSA-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 = 235783   
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))
BDBM235783
PNG
(US9359399, 4)
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)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C40H59N7O6/c1-27(2)24-33(45-38(50)34(26-29-14-7-4-8-15-29)44-36(48)31(42)25-28-12-5-3-6-13-28)37(49)43-32(16-9-10-20-41)39(51)46-22-18-30(19-23-46)47-21-11-17-35(47)40(52)53/h3-8,12-15,27,30-35H,9-11,16-26,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)(H,52,53)/t31-,32-,33-,34-,35+/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 0.150n/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))
BDBM235783
PNG
(US9359399, 4)
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)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C40H59N7O6/c1-27(2)24-33(45-38(50)34(26-29-14-7-4-8-15-29)44-36(48)31(42)25-28-12-5-3-6-13-28)37(49)43-32(16-9-10-20-41)39(51)46-22-18-30(19-23-46)47-21-11-17-35(47)40(52)53/h3-8,12-15,27,30-35H,9-11,16-26,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)(H,52,53)/t31-,32-,33-,34-,35+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0750n/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