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BDBM50004779 3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1,2-dihydroxy-ethyl)-3,7,12,17-tetramethyl-porphyrin-2-yl]-propionic acid::3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-dihydroxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid::CHEMBL12659

SMILES: Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O

InChI Key: InChIKey=IYQQDYYJPFBTRQ-LNKBXFQTSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50004779   
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)
BDBM50004779
PNG
(3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...)
Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 2.80E+5n/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)
BDBM50004779
PNG
(3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...)
Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-
PDB
MMDB

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

Patents


Similars

Article
PubMed
n/an/a 2.80E+5n/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 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004779
PNG
(3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...)
Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80E+5n/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