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3 similar compounds to monomer 50229421

Compile data set for download or QSAR
Wt: 1011.1
BDBM50229417
Wt: 761.9
BDBM50229416
Wt: 626.7
BDBM50229418

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229417,50229416,50229418   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50229416
PNG
(CHEMBL3350192)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C41H59N7O7/c1-5-27(4)36(41(54)44-23-29-16-12-13-19-43-29)48-40(53)35(26(2)3)38(51)37(50)32(20-28-14-8-6-9-15-28)47-39(52)33(21-30-22-42-25-45-30)46-34(49)24-55-31-17-10-7-11-18-31/h7,10-13,16-19,22,25-28,32-33,35-38,50-51H,5-6,8-9,14-15,20-21,23-24H2,1-4H3,(H,42,45)(H,44,54)(H,46,49)(H,47,52)(H,48,53)/t27-,32-,33-,35+,36-,37+,38+/m0/s1
PDB
MMDB

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KEGG
PC cid
PC sid
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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 34: 2344-56 (1991)


Article DOI: 10.1021/jm00112a005
BindingDB Entry DOI: 10.7270/Q20P10ND
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229418
PNG
(CHEMBL76890)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C32H46N6O7/c1-6-20(4)28(32(43)44)37-29(40)25-8-7-15-38(25)31(42)24(16-22-17-33-18-34-22)35-30(41)27(19(2)3)36-26(39)14-11-21-9-12-23(45-5)13-10-21/h9-10,12-13,17-20,24-25,27-28H,6-8,11,14-16H2,1-5H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t20-,24-,25-,27-,28-/m0/s1
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PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229417
PNG
(CHEMBL2369863)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)N[C@H](C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C47H74N14O11/c1-8-26(6)37(46(71)72)60-43(68)33-12-10-18-61(33)45(70)32(20-28-21-52-23-54-28)56-38(40(48)65)39(64)35(24(2)3)58-42(67)31(19-27-13-15-29(62)16-14-27)57-44(69)36(25(4)5)59-41(66)30(55-34(63)22-51-7)11-9-17-53-47(49)50/h13-16,21,23-26,30-33,35-38,51,56,62H,8-12,17-20,22H2,1-7H3,(H2,48,65)(H,52,54)(H,55,63)(H,57,69)(H,58,67)(H,59,66)(H,60,68)(H,71,72)(H4,49,50,53)/t26-,30-,31-,32-,33-,35-,36-,37-,38-/m0/s1
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PubMed
n/an/a 330n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair