Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide 1
Ligand
BDBM50025075
Substrate
n/a
Meas. Tech.
ChEMBL_556924 (CHEMBL954950)
IC50
3.5±n/a nM
Citation
Miranda, LP; Holder, JR; Shi, L; Bennett, B; Aral, J; Gegg, CV; Wright, M; Walker, K; Doellgast, G; Rogers, R; Li, H; Valladares, V; Salyers, K; Johnson, E; Wild, K Identification of potent, selective, and metabolically stable peptide antagonists to the calcitonin gene-related peptide (CGRP) receptor. J Med Chem 51:7889-97 (2008) [PubMed] Article
More Info.:
Target
Name:
Calcitonin gene-related peptide 1
Synonyms:
CALC1 | CALCA | CALCA_HUMAN | CGRP | Calcitonin gene-related peptide (CGRP alpha) | Calcitonin gene-related peptide 1
Type:
Enzyme
Mol. Mass.:
13902.80
Organism:
Homo sapiens (Human)
Description:
P06881
Residue:
128
Sequence:
MGFQKFSPFLALSILVLLQAGSLHAAPFRSALESSPADPATLSEDEARLLLAALVQDYVQMKASELEQEQEREGSRIIAQKRACDTATCVTHRLAGLLSRSGGVVKNNFVPTNVGSKAFGRRRRDLQA
Inhibitor
Name:
BDBM50025075
Synonyms:
CHEMBL2372193
Type:
Small organic molecule
Emp. Form.:
C172H256N44O41
Mol. Mass.:
3596.1432
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|