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BDBM50258943 CHEMBL4060087

SMILES: C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O

InChI Key: InChIKey=PQOVOLYOYBBMRV-RTDHWHNXNA-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 = 50258943   
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 1


(Mus musculus)
BDBM50258943
PNG
(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O
Show InChI InChI=1/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/s2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from melanocortin receptor 1 in mouse B16F10 cells after 2 hrs by scintillation counting method


J Med Chem 60: 8103-8114 (2017)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50258943
PNG
(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O
Show InChI InChI=1/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
54n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 4 expressed in HEK293 cells after 2 hrs by scintillation counting method


J Med Chem 60: 8103-8114 (2017)

More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50258943
PNG
(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O
Show InChI InChI=1/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 3 expressed in HEK293 cells after 2 hrs by scintillation counting method


J Med Chem 60: 8103-8114 (2017)

More data for this
Ligand-Target Pair