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BDBM391723 3,5-dibromo-Nalpha-{[4-(2-::US10300056, Example 8::US10888561, Example 8

SMILES: Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br

InChI Key:

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 = 391723   
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.0398n/an/an/an/an/an/an/an/a



Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...


J Med Chem 63: 7906-7920 (2020)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...


Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...


US Patent US10888561 (2021)

More data for this
Ligand-Target Pair