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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1' and Ligand = 'BDBM50217493'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50217493
PNG
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217493
PNG
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair