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BDBM50358564 CHEMBL1923667

SMILES: CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=AOMUTEUZPCRNFD-HQZHZNCASA-N

Data: 3 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 3 hits for monomerid = 50358564   
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50358564
PNG
(CHEMBL1923667)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.710n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50358564
PNG
(CHEMBL1923667)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.770n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50358564
PNG
(CHEMBL1923667)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair