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BDBM160163 US9040663, 9

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCN)NC1=O)C(N)=O

InChI Key: InChIKey=LEURJYAAAHRVRF-IQSCWYJSSA-N

Data: 2 KI

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 = 160163   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160163
PNG
(US9040663, 9)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H70FN17O9/c1-26(67)60-33(14-7-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-6-13-32(40(51)69)61-45(74)38(24-28-25-59-31-12-5-3-10-29(28)31)66-42(71)34(15-8-22-58-48(54)55)62-46(75)37(23-27-9-2-4-11-30(27)49)65-44(73)36(18-19-50)64-43(35)72/h2-5,9-12,25,32-38,59H,6-8,13-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,74)(H,62,75)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.700 -13.0n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160163
PNG
(US9040663, 9)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H70FN17O9/c1-26(67)60-33(14-7-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-6-13-32(40(51)69)61-45(74)38(24-28-25-59-31-12-5-3-10-29(28)31)66-42(71)34(15-8-22-58-48(54)55)62-46(75)37(23-27-9-2-4-11-30(27)49)65-44(73)36(18-19-50)64-43(35)72/h2-5,9-12,25,32-38,59H,6-8,13-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,74)(H,62,75)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.800 -12.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair