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BDBM50062181 CHEMBL265399::YAPTNVGSEAF

SMILES: CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=HIBHRGLLICSWBU-GVUYKIJGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50062181   
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


(Homo sapiens (Human))
BDBM50062181
PNG
(CHEMBL265399 | YAPTNVGSEAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C52H74N12O18/c1-25(2)41(49(78)55-23-39(69)58-36(24-65)47(76)59-33(17-18-40(70)71)45(74)56-26(3)43(72)61-35(52(81)82)21-29-10-7-6-8-11-29)62-46(75)34(22-38(54)68)60-50(79)42(28(5)66)63-48(77)37-12-9-19-64(37)51(80)27(4)57-44(73)32(53)20-30-13-15-31(67)16-14-30/h6-8,10-11,13-16,25-28,32-37,41-42,65-67H,9,12,17-24,53H2,1-5H3,(H2,54,68)(H,55,78)(H,56,74)(H,57,73)(H,58,69)(H,59,76)(H,60,79)(H,61,72)(H,62,75)(H,63,77)(H,70,71)(H,81,82)/t26-,27-,28+,32-,33-,34-,35-,36-,37-,41-,42-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair