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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' and Ligand = 'BDBM50388882'   
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


(Homo sapiens (Human))
BDBM50388882
PNG
(CHEMBL2063115)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r|
Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells


ACS Med Chem Lett 3: 337-341 (2012)


Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50388882
PNG
(CHEMBL2063115)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r|
Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


ACS Med Chem Lett 3: 337-341 (2012)


Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R
More data for this
Ligand-Target Pair