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BDBM50286798 2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(1-methyl-1H-indol-3-yl)-propionylamino]-2-methyl-propionic acid::CHEMBL353605

SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(O)=O

InChI Key: InChIKey=PNIOOYSMYALOCP-XZOQPEGZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286798   
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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50286798
PNG
(2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(O)=O
Show InChI InChI=1S/C29H43N5O5/c1-19(2)16-22(31-28(39)34-14-10-6-7-11-15-34)25(35)30-23(26(36)32-29(3,4)27(37)38)17-20-18-33(5)24-13-9-8-12-21(20)24/h8-9,12-13,18-19,22-23H,6-7,10-11,14-17H2,1-5H3,(H,30,35)(H,31,39)(H,32,36)(H,37,38)/t22-,23+/m0/s1
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Similars
Article
n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair