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BDBM135717 US8846601, 102::US9458201, 102

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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

InChI Key: InChIKey=MHUHVLUEEWZUER-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 = 135717   
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))
BDBM135717
PNG
(US8846601, 102 | US9458201, 102)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C50H75N19O9/c1-28(70)63-34(16-8-22-59-48(52)53)42(73)67-37-19-20-40(71)58-21-7-15-33(41(51)72)64-47(78)39(26-30-27-62-32-14-6-5-13-31(30)32)69-44(75)36(18-10-24-61-50(56)57)66-46(77)38(25-29-11-3-2-4-12-29)68-43(74)35(65-45(37)76)17-9-23-60-49(54)55/h2-6,11-14,27,33-39,62H,7-10,15-26H2,1H3,(H2,51,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135717
PNG
(US8846601, 102 | US9458201, 102)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C50H75N19O9/c1-28(70)63-34(16-8-22-59-48(52)53)42(73)67-37-19-20-40(71)58-21-7-15-33(41(51)72)64-47(78)39(26-30-27-62-32-14-6-5-13-31(30)32)69-44(75)36(18-10-24-61-50(56)57)66-46(77)38(25-29-11-3-2-4-12-29)68-43(74)35(65-45(37)76)17-9-23-60-49(54)55/h2-6,11-14,27,33-39,62H,7-10,15-26H2,1H3,(H2,51,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.700n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair