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BDBM50208102 CHEMBL424755::[4-NH2-Phe6] Ang II

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O

InChI Key: InChIKey=PARSDXJAHBJTLT-PLNBEPJMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50208102   
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 receptor


(Homo sapiens (Human))		BDBM50208102
PNG
(CHEMBL424755 | [4-NH2-Phe6] Ang II)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O |wU:8.17,24.32,60.63,47.47,2.2,wD:4.4,20.21,64.66,35.36,(17.7,-20.36,;17.7,-18.82,;16.36,-18.05,;15.03,-18.83,;16.36,-16.51,;15.03,-15.75,;13.7,-16.52,;13.7,-18.06,;12.37,-15.76,;12.36,-14.22,;13.7,-13.44,;15.03,-14.21,;16.36,-13.44,;16.35,-11.9,;17.69,-11.13,;15.01,-11.13,;13.68,-11.91,;11.04,-16.53,;9.71,-15.77,;9.7,-14.23,;8.38,-16.54,;7.05,-15.77,;5.72,-16.54,;5.72,-18.08,;4.39,-15.78,;4.38,-14.24,;3.05,-13.47,;3.04,-11.93,;1.71,-11.17,;1.71,-9.63,;.37,-8.86,;3.04,-8.85,;3.06,-16.55,;1.73,-15.79,;1.72,-14.25,;.4,-16.56,;-.94,-15.79,;.4,-18.1,;-.93,-18.87,;-.93,-20.41,;-2.27,-18.1,;8.38,-18.08,;7.05,-18.85,;9.72,-18.84,;17.69,-15.74,;17.68,-14.2,;19.02,-16.5,;20.35,-15.73,;20.34,-14.19,;21.39,-13.06,;21.08,-11.55,;22.42,-10.8,;23.55,-11.84,;22.91,-13.24,;21.68,-16.5,;21.68,-18.04,;23.01,-15.72,;23.17,-14.19,;24.67,-13.86,;25.44,-15.19,;24.42,-16.34,;24.88,-17.81,;23.84,-18.94,;26.38,-18.15,;26.84,-19.62,;25.51,-20.4,;25.53,-21.94,;24.2,-22.71,;24.22,-24.25,;25.56,-25.01,;25.57,-26.55,;26.89,-24.22,;26.87,-22.68,;28.34,-19.95,;28.81,-21.42,;29.39,-18.82,)|
Show InChI InChI=1S/C50H72N14O12/c1-5-27(4)41(47(73)60-36(22-31-24-55-25-57-31)48(74)64-19-7-9-38(64)45(71)61-37(49(75)76)21-28-10-14-30(51)15-11-28)63-44(70)35(20-29-12-16-32(65)17-13-29)59-46(72)40(26(2)3)62-43(69)34(8-6-18-56-50(53)54)58-42(68)33(52)23-39(66)67/h10-17,24-27,33-38,40-41,65H,5-9,18-23,51-52H2,1-4H3,(H,55,57)(H,58,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,70)(H,66,67)(H,75,76)(H4,53,54,56)/t27-,33+,34+,35+,36+,37+,38+,40+,41+/m1/s1
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Similars
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrial membrane

J Med Chem 50: 1711-5 (2007)


Article DOI: 10.1021/jm0613469
BindingDB Entry DOI: 10.7270/Q2NK3FTN
More data for this
Ligand-Target Pair