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1 similar compounds to monomer 86060

Wt: 1051.1
BDBM50049202

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049202   
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


(HUMAN)
BDBM50049202
PNG
((2S,3R)-2-({(S)-1-[(S)-2-[(S)-2-[(S)-2-Benzoylamin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C53H70N12O11/c1-3-33(2)44(51(73)74)64-49(71)43-20-13-27-65(43)50(72)42(29-37-30-56-32-59-37)62-47(69)40(60-48(70)41(28-34-21-23-38(66)24-22-34)61-45(67)36-16-8-5-9-17-36)18-10-11-25-57-46(68)39(19-12-26-58-52(54)55)63-53(75)76-31-35-14-6-4-7-15-35/h4-9,14-17,21-24,30,32-33,39-44,66H,3,10-13,18-20,25-29,31H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,54,55,58)/t33-,39+,40+,41+,42+,43+,44+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049202
PNG
((2S,3R)-2-({(S)-1-[(S)-2-[(S)-2-[(S)-2-Benzoylamin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C53H70N12O11/c1-3-33(2)44(51(73)74)64-49(71)43-20-13-27-65(43)50(72)42(29-37-30-56-32-59-37)62-47(69)40(60-48(70)41(28-34-21-23-38(66)24-22-34)61-45(67)36-16-8-5-9-17-36)18-10-11-25-57-46(68)39(19-12-26-58-52(54)55)63-53(75)76-31-35-14-6-4-7-15-35/h4-9,14-17,21-24,30,32-33,39-44,66H,3,10-13,18-20,25-29,31H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,54,55,58)/t33-,39+,40+,41+,42+,43+,44+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 1


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair