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BDBM50422227 CHEMBL405031

SMILES: CCCCCCCCCCCCCCCC(=O)OCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=OFFBJGTUNGRSBT-QJFRHGNISA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422227   
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
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)		BDBM50422227
PNG
(CHEMBL405031)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C64H98N12O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-28-54(79)88-36-33-53(78)70-48(26-22-34-68-64(65)66)57(80)74-55(42(2)3)60(83)71-49(37-45-29-31-47(77)32-30-45)58(81)75-56(43(4)5)61(84)72-50(39-46-40-67-41-69-46)62(85)76-35-23-27-52(76)59(82)73-51(63(86)87)38-44-24-19-18-20-25-44/h18-20,24-25,29-32,40-43,48-52,55-56,77H,6-17,21-23,26-28,33-39H2,1-5H3,(H,67,69)(H,70,78)(H,71,83)(H,72,84)(H,73,82)(H,74,80)(H,75,81)(H,86,87)(H4,65,66,68)/t48-,49-,50-,51-,52-,55-,56-/m0/s1
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Similars
Article
PubMed
n/an/an/a 2.75E+3n/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptorof bovine adrenocortical membranes

J Med Chem 40: 3271-9 (1997)


Article DOI: 10.1021/jm9608669
BindingDB Entry DOI: 10.7270/Q2GQ6ZZM
More data for this
Ligand-Target Pair