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BDBM50377911 CHEMBL483649

SMILES: C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O

InChI Key: InChIKey=ZXENWDWQTWYUGY-RFBMWCEQSA-N

Data: 1 IC50  5 EC50

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

Found 6 hits for monomerid = 50377911   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase


(Rattus norvegicus)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens homogenate


J Nat Prod 66: 1191-6 (2003)


Article DOI: 10.1021/np0301543
BindingDB Entry DOI: 10.7270/Q2PV6M79
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/an/an/a 3.38E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rA)-oligo(dT) template


J Nat Prod 55: 340-6 (1992)


Article DOI: 10.1021/np50081a010
BindingDB Entry DOI: 10.7270/Q2TQ64BQ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
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UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/an/an/a 3.17E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rC)-oligo(dG) template


J Nat Prod 55: 340-6 (1992)


Article DOI: 10.1021/np50081a010
BindingDB Entry DOI: 10.7270/Q2TQ64BQ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
PDB
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UniProtKB/TrEMBL

GoogleScholar
CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.58E+5n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(dC)-oligo(dG) template


J Nat Prod 55: 340-6 (1992)


Article DOI: 10.1021/np50081a010
BindingDB Entry DOI: 10.7270/Q2TQ64BQ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
PDB
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UniProtKB/TrEMBL

GoogleScholar
CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>2.11E+5n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rU)-oligo(dA) template


J Nat Prod 55: 340-6 (1992)


Article DOI: 10.1021/np50081a010
BindingDB Entry DOI: 10.7270/Q2TQ64BQ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50377911
PNG
(CHEMBL483649)
Show SMILES C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.11E+5n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rG)-oligo(dC) template


J Nat Prod 55: 340-6 (1992)


Article DOI: 10.1021/np50081a010
BindingDB Entry DOI: 10.7270/Q2TQ64BQ
More data for this
Ligand-Target Pair