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BDBM160161 US9040663, 7

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](Cc2ccc(cc2)C#N)NC(=O)[C@H](CCN)NC1=O)C(N)=O

InChI Key: InChIKey=WRKBOTGDFLBBDK-OFDRTADWSA-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 = 160161   
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))
BDBM160161
PNG
(US9040663, 7)
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](Cc2ccc(cc2)C#N)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C49H70N18O9/c1-27(68)61-34(10-5-21-58-48(53)54)42(71)64-36-16-17-40(69)57-20-4-9-33(41(52)70)62-47(76)39(24-30-26-60-32-8-3-2-7-31(30)32)67-43(72)35(11-6-22-59-49(55)56)63-46(75)38(23-28-12-14-29(25-51)15-13-28)66-45(74)37(18-19-50)65-44(36)73/h2-3,7-8,12-15,26,33-39,60H,4-6,9-11,16-24,50H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.833 -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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160161
PNG
(US9040663, 7)
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](Cc2ccc(cc2)C#N)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C49H70N18O9/c1-27(68)61-34(10-5-21-58-48(53)54)42(71)64-36-16-17-40(69)57-20-4-9-33(41(52)70)62-47(76)39(24-30-26-60-32-8-3-2-7-31(30)32)67-43(72)35(11-6-22-59-49(55)56)63-46(75)38(23-28-12-14-29(25-51)15-13-28)66-45(74)37(18-19-50)65-44(36)73/h2-3,7-8,12-15,26,33-39,60H,4-6,9-11,16-24,50H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5 -11.8n/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