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BDBM50217488 CHEMBL392132::N-((3R,6S)-1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl)-4-(5-oxo-3-phenyl-4,5-dihydro-1,2,4-triazol-1-yl)piperidine-1-carboxamide

SMILES: O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1

InChI Key: InChIKey=ANPOMVNSKAJOBS-AOYPEHQESA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217488   
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))
BDBM50217488
PNG
(CHEMBL392132 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(14-13-24(22-7-3-1-4-8-22)20-35(28)19-21-11-12-21)31-29(38)34-17-15-25(16-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)/t24-,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
29n/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))
BDBM50217488
PNG
(CHEMBL392132 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(14-13-24(22-7-3-1-4-8-22)20-35(28)19-21-11-12-21)31-29(38)34-17-15-25(16-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)/t24-,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 45n/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