BindingDB logo
myBDB logout

33 similar compounds to monomer 50224866

Compile data set for download or QSAR
Wt: 104.1
BDBM50224861
Wt: 584.8
BDBM50050952
Wt: 584.8
BDBM50050955
Purchase
Wt: 598.8
BDBM50050957
Wt: 498.7
BDBM50103967
Purchase
Wt: 556.7
BDBM50292431
Purchase
Wt: 554.8
BDBM50303195
Wt: 556.8
BDBM50303196
Wt: 538.8
BDBM50303449
Wt: 526.7
BDBM50303450
Wt: 521.5
BDBM50068012
Wt: 256.2
BDBM50068026
Wt: 521.5
BDBM50068013
Wt: 523.5
BDBM50096350
Wt: 495.5
BDBM50096352
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50224861,50050952,50050955,50050957,50103967,50292431,50303195,50303196,50303449,50303450,50068012,50068026,50068013,50096350,50096352   
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
Alcohol dehydrogenase


(Equus caballus)
BDBM50224861
PNG
(TETRAMETHYLENE SULFOXIDE | Tetrahydro-Thiophene-1-...)
Show SMILES [O-][S+]1CCCC1
Show InChI InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 74n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S/V362I double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50050957
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C37H58O6/c1-22(2)23-12-17-37(31(41)42)19-18-35(8)24(30(23)37)10-11-26-34(7)15-14-27(33(5,6)25(34)13-16-36(26,35)9)43-29(40)21-32(3,4)20-28(38)39/h23-27,30H,1,10-21H2,2-9H3,(H,38,39)(H,41,42)/t23-,24+,25-,26+,27-,30+,34-,35+,36+,37-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-RT


J Med Chem 39: 1016-7 (1996)


Article DOI: 10.1021/jm950922q
BindingDB Entry DOI: 10.7270/Q2PN94QV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50068012
PNG
(CHEMBL3402181)
Show SMILES Cc1cc(=O)n2C[C@@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23
Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK499 binding assay


Bioorg Med Chem Lett 25: 1831-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50068013
PNG
(CHEMBL3402182)
Show SMILES Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23
Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK499 binding assay


Bioorg Med Chem Lett 25: 1831-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50068026
PNG
(CHEMBL3402198)
Show SMILES C(Cc1ccccc1)Oc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H16O3/c1-2-4-13(5-3-1)8-9-17-14-6-7-15-16(12-14)19-11-10-18-15/h1-7,12H,8-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine substrate assessed as reduction in MAO-generated 4-hydroxyquinoline level by fluorescence spect...


Bioorg Med Chem Lett 25: 1896-900 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.040
BindingDB Entry DOI: 10.7270/Q2PC3429
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50068026
PNG
(CHEMBL3402198)
Show SMILES C(Cc1ccccc1)Oc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H16O3/c1-2-4-13(5-3-1)8-9-17-14-6-7-15-16(12-14)19-11-10-18-15/h1-7,12H,8-11H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine substrate assessed as reduction in MAO-generated 4-hydroxyquinoline level by fluorescence spect...


Bioorg Med Chem Lett 25: 1896-900 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.040
BindingDB Entry DOI: 10.7270/Q2PC3429
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 417n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.35E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.91E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 288n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 410n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 86n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 290n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC delta


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50103967
PNG
((3-O-acetyl)betulinic acid | 3-acetylbetulinic aci...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC beta2


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC beta2


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50103967
PNG
((3-O-acetyl)betulinic acid | 3-acetylbetulinic aci...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC epsilon


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC epsilon


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50303195
PNG
((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-cyclohex...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OC1CCCCC1
Show InChI InChI=1S/C36H58O4/c1-23(2)25-14-19-36(31(39)40-24-10-8-7-9-11-24)21-20-34(5)26(30(25)36)12-13-28-32(3)17-16-29(38)33(4,22-37)27(32)15-18-35(28,34)6/h24-30,37-38H,1,7-22H2,2-6H3/t25-,26+,27+,28+,29-,30+,32-,33-,34+,35+,36-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.04E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins


Bioorg Med Chem Lett 19: 6966-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.055
BindingDB Entry DOI: 10.7270/Q28G8MNX
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50303196
PNG
((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-hexyl 9-...)
Show SMILES CCCCCCOC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
Show InChI InChI=1S/C36H60O4/c1-8-9-10-11-22-40-31(39)36-19-14-25(24(2)3)30(36)26-12-13-28-32(4)17-16-29(38)33(5,23-37)27(32)15-18-35(28,7)34(26,6)20-21-36/h25-30,37-38H,2,8-23H2,1,3-7H3/t25-,26+,27+,28+,29-,30+,32-,33-,34+,35+,36-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.91E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins


Bioorg Med Chem Lett 19: 6966-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.055
BindingDB Entry DOI: 10.7270/Q28G8MNX
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Universite Louis Pasteur

Curated by ChEMBL


Assay Description
Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay


J Med Chem 53: 178-90 (2010)


Article DOI: 10.1021/jm900872z
BindingDB Entry DOI: 10.7270/Q2RJ4KDW
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50303449
PNG
(3-(Pent-4-enoyloxy)lup-20(29)-en-28-oic Acid | CHE...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C35H54O4/c1-9-10-11-28(36)39-27-16-17-32(6)25(31(27,4)5)15-18-34(8)26(32)13-12-24-29-23(22(2)3)14-19-35(29,30(37)38)21-20-33(24,34)7/h9,23-27,29H,1-2,10-21H2,3-8H3,(H,37,38)/t23-,24+,25-,26+,27-,29+,32-,33+,34+,35-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universite Louis Pasteur

Curated by ChEMBL


Assay Description
Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay


J Med Chem 53: 178-90 (2010)


Article DOI: 10.1021/jm900872z
BindingDB Entry DOI: 10.7270/Q2RJ4KDW
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50303450
PNG
(3-(Isobutyryloxy)lup-20(29)-en-28-oic Acid | CHEMB...)
Show SMILES CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C
Show InChI InChI=1S/C34H54O4/c1-20(2)22-12-17-34(29(36)37)19-18-32(8)23(27(22)34)10-11-25-31(7)15-14-26(38-28(35)21(3)4)30(5,6)24(31)13-16-33(25,32)9/h21-27H,1,10-19H2,2-9H3,(H,36,37)/t22-,23+,24-,25+,26-,27+,31-,32+,33+,34-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universite Louis Pasteur

Curated by ChEMBL


Assay Description
Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay


J Med Chem 53: 178-90 (2010)


Article DOI: 10.1021/jm900872z
BindingDB Entry DOI: 10.7270/Q2RJ4KDW
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 970n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 552n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 1.12E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CA-SP1 P373S/T371A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...


Bioorg Med Chem Lett 28: 1550-1557 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50050952
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(29(39)40)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-30(41)31(3,4)20-27(37)38)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,37,38)(H,39,40)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.71E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-RT


J Med Chem 39: 1016-7 (1996)


Article DOI: 10.1021/jm950922q
BindingDB Entry DOI: 10.7270/Q2PN94QV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.71E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-RT


J Med Chem 39: 1016-7 (1996)


Article DOI: 10.1021/jm950922q
BindingDB Entry DOI: 10.7270/Q2PN94QV
More data for this
Ligand-Target Pair