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BDBM50004783 3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid::CHEMBL408667

SMILES: Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O

InChI Key: InChIKey=XWLXUFRSYMFDLQ-WNHXZLMMSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50004783   
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 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair