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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50285137'   
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
Endothelin-1 receptor


(Sus scrofa)		BDBM50285137
PNG
(2-{1-[1-(1-{5-amino-1-[10,11-dihydro-5H-dibenzo[a,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H68N8O10/c1-6-29(3)44(49(66)58-41(52(69)70)26-34-28-54-38-21-13-12-18-35(34)38)60-50(67)45(30(4)7-2)59-48(65)40(27-42(62)63)57-47(64)39(22-14-15-25-53)56-51(68)46(55-31(5)61)43-36-19-10-8-16-32(36)23-24-33-17-9-11-20-37(33)43/h8-13,16-21,28-30,39-41,43-46,54H,6-7,14-15,22-27,53H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1
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Similars
Article
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes

Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair