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BDBM160217 US9040663, 63

SMILES: C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O

InChI Key: InChIKey=BPRBXYIGPSSVII-TVJVXSPMSA-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 = 160217   
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))
BDBM160217
PNG
(US9040663, 63)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
Show InChI InChI=1S/C55H75ClN16O10/c1-31(82-30-33-13-4-3-5-14-33)46-53(81)71-43(27-34-15-6-8-17-37(34)56)52(80)68-41(21-12-26-64-55(60)61)49(77)70-44(28-35-29-65-38-18-9-7-16-36(35)38)51(79)67-39(47(57)75)19-10-24-62-45(74)23-22-42(50(78)72-46)69-48(76)40(66-32(2)73)20-11-25-63-54(58)59/h3-9,13-18,29,31,39-44,46,65H,10-12,19-28,30H2,1-2H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,78)(H4,58,59,63)(H4,60,61,64)/t31-,39+,40+,41+,42+,43-,44+,46+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.350 -13.4n/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))
BDBM160217
PNG
(US9040663, 63)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
Show InChI InChI=1S/C55H75ClN16O10/c1-31(82-30-33-13-4-3-5-14-33)46-53(81)71-43(27-34-15-6-8-17-37(34)56)52(80)68-41(21-12-26-64-55(60)61)49(77)70-44(28-35-29-65-38-18-9-7-16-36(35)38)51(79)67-39(47(57)75)19-10-24-62-45(74)23-22-42(50(78)72-46)69-48(76)40(66-32(2)73)20-11-25-63-54(58)59/h3-9,13-18,29,31,39-44,46,65H,10-12,19-28,30H2,1-2H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,78)(H4,58,59,63)(H4,60,61,64)/t31-,39+,40+,41+,42+,43-,44+,46+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

12 -11.2n/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