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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50062171'   
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))		BDBM50062171
PNG
(CHEMBL408025 | FVPTNPGSEAF)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=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/C54H76N12O17/c1-28(2)43(63-46(74)33(55)23-31-13-7-5-8-14-31)53(81)66-22-12-18-39(66)50(78)64-44(30(4)68)51(79)61-35(25-40(56)69)52(80)65-21-11-17-38(65)49(77)57-26-41(70)59-37(27-67)48(76)60-34(19-20-42(71)72)47(75)58-29(3)45(73)62-36(54(82)83)24-32-15-9-6-10-16-32/h5-10,13-16,28-30,33-39,43-44,67-68H,11-12,17-27,55H2,1-4H3,(H2,56,69)(H,57,77)(H,58,75)(H,59,70)(H,60,76)(H,61,79)(H,62,73)(H,63,74)(H,64,78)(H,71,72)(H,82,83)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a>1.00E+4n/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