BindingDB logo
myBDB logout

PubMed code 10698443

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM50085429
PNG
((R)-2,4-Dimethyl-oct-2-enoic acid (1S,5S,8aR)-6-((...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:32.32,t:38|
Show InChI InChI=1S/C32H47NO7/c1-9-10-11-20(4)15-21(5)30(37)40-28-13-12-24(29(36)33-26(14-19(2)3)31(38)39-8)32(7)17-23(22(6)18-34)27(35)16-25(28)32/h15-16,18-20,24,26,28H,9-14,17H2,1-8H3,(H,33,36)/b21-15+,23-22?/t20?,24-,26+,28-,32-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085425
PNG
((1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:23.23,t:29|
Show InChI InChI=1S/C25H34O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,14-15,19,22H,6-10,13H2,1-5H3,(H,28,29)/b16-11+,18-17?/t15?,19-,22-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085435
PNG
(CHEMBL80419 | Integric acid derivative)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@@H](C(=O)OC)c2ccccc2)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:35.36,t:42|
Show InChI InChI=1S/C34H43NO8/c1-7-8-12-21(2)17-22(3)31(38)42-29-16-15-26(34(5)19-25(23(4)20-36)28(37)18-27(29)34)32(39)43-35-30(33(40)41-6)24-13-10-9-11-14-24/h9-11,13-14,17-18,20-21,26,29-30,35H,7-8,12,15-16,19H2,1-6H3/b22-17+,25-23?/t21?,26-,29-,30-,34-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085431
PNG
(CHEMBL80259 | Integric acid derivative)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@H](C(=O)OC)c2ccccc2)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:35.36,t:42|
Show InChI InChI=1S/C34H43NO8/c1-7-8-12-21(2)17-22(3)31(38)42-29-16-15-26(34(5)19-25(23(4)20-36)28(37)18-27(29)34)32(39)43-35-30(33(40)41-6)24-13-10-9-11-14-24/h9-11,13-14,17-18,20-21,26,29-30,35H,7-8,12,15-16,19H2,1-6H3/b22-17+,25-23?/t21?,26-,29-,30+,34-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085427
PNG
(CHEMBL307070 | Integric acid derivative)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[C@@H](OC(=O)C(\C)=C\C(C)CCCC)C3=CC(=O)C(C[C@]23C)=C(C)C=O)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:56.58,48.50,t:40,64|
Show InChI InChI=1S/C52H72N2O10/c1-11-13-15-31(3)23-33(5)49(61)63-45-19-17-39(51(9)27-37(35(7)29-55)43(57)25-41(45)51)47(59)53-21-22-54-48(60)40-18-20-46(64-50(62)34(6)24-32(4)16-14-12-2)42-26-44(58)38(36(8)30-56)28-52(40,42)10/h23-26,29-32,39-40,45-46H,11-22,27-28H2,1-10H3,(H,53,59)(H,54,60)/b33-23+,34-24+,37-35?,38-36?/t31?,32?,39-,40-,45-,46-,51-,52-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085422
PNG
((1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC([C@H](C)C=O)C(=O)C=C12 |t:29|
Show InChI InChI=1S/C25H36O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,14-15,17-19,22H,6-10,13H2,1-5H3,(H,28,29)/b16-11+/t15?,17-,18?,19-,22-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085424
PNG
((1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC([C@@H](C)C=O)C(=O)C=C12 |t:29|
Show InChI InChI=1S/C25H36O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,14-15,17-19,22H,6-10,13H2,1-5H3,(H,28,29)/b16-11+/t15?,17-,18?,19+,22+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085426
PNG
((E)-2,4-Dimethyl-oct-2-enoic acid | CHEMBL421139)
Show SMILES CCCCC(C)\C=C(/C)C(O)=O
Show InChI InChI=1S/C10H18O2/c1-4-5-6-8(2)7-9(3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085437
PNG
(CHEMBL80385 | Integric acid derivative)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(CC2)C(=O)[C@H]2CC[C@@H](OC(=O)C(\C)=C\C(C)CCCC)C3=CC(=O)C(C[C@]23C)=C(C)C=O)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:58.61,50.53,t:43,67|
Show InChI InChI=1S/C54H74N2O10/c1-11-13-15-33(3)25-35(5)51(63)65-47-19-17-41(53(9)29-39(37(7)31-57)45(59)27-43(47)53)49(61)55-21-23-56(24-22-55)50(62)42-18-20-48(66-52(64)36(6)26-34(4)16-14-12-2)44-28-46(60)40(38(8)32-58)30-54(42,44)10/h25-28,31-34,41-42,47-48H,11-24,29-30H2,1-10H3/b35-25+,36-26+,39-37?,40-38?/t33?,34?,41-,42-,47-,48-,53-,54-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085430
PNG
((1S,4R,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-8a...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=C)C(=O)C=C12 |w:23.23,t:29|
Show InChI InChI=1S/C26H36O5/c1-7-9-10-16(3)13-18(5)25(30)31-23-12-11-20(24(28)29)26(6)15-19(17(4)8-2)22(27)14-21(23)26/h8,13-14,16,20,23H,2,7,9-12,15H2,1,3-6H3,(H,28,29)/b18-13+,19-17?/t16?,20-,23-,26-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085432
PNG
((1S,4R,7S,8aR)-7-(2,2-Dihydroxy-1-methyl-ethyl)-4-...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(C)C(O)O)C(=O)C=C12 |t:30|
Show InChI InChI=1S/C25H38O7/c1-6-7-8-14(2)11-15(3)24(31)32-21-10-9-18(23(29)30)25(5)13-17(16(4)22(27)28)20(26)12-19(21)25/h11-12,14,16-18,21-22,27-28H,6-10,13H2,1-5H3,(H,29,30)/b15-11+/t14?,16?,17-,18+,21+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085436
PNG
((4aR,5S,8R)-8-((E)-2,4-Dimethyl-oct-2-enoyloxy)-2,...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC3C(C)C(O)OC3(O)C=C12 |t:31|
Show InChI InChI=1S/C25H38O7/c1-6-7-8-14(2)11-15(3)22(28)31-20-10-9-17(21(26)27)24(5)12-18-16(4)23(29)32-25(18,30)13-19(20)24/h11,13-14,16-18,20,23,29-30H,6-10,12H2,1-5H3,(H,26,27)/b15-11+/t14?,16?,17-,18?,20-,23?,24-,25?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085423
PNG
((3R,3aS,4aS,5S,8R,8aS,9aR)-8-((E)-2,4-Dimethyl-oct...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]3[C@@H](C)CO[C@]3(O)C[C@H]12
Show InChI InChI=1S/C25H40O6/c1-6-7-8-15(2)11-16(3)23(28)31-21-10-9-18(22(26)27)24(5)12-19-17(4)14-30-25(19,29)13-20(21)24/h11,15,17-21,29H,6-10,12-14H2,1-5H3,(H,26,27)/b16-11+/t15?,17-,18+,19-,20+,21+,24+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085421
PNG
((1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]([C@H](O)C=C12)C(=C)CO |t:25|
Show InChI InChI=1S/C25H38O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,15,18-19,21-22,26-27H,4,6-10,13-14H2,1-3,5H3,(H,28,29)/b16-11+/t15?,18-,19+,21+,22+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085430
PNG
((1S,4R,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-8a...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=C)C(=O)C=C12 |w:23.23,t:29|
Show InChI InChI=1S/C26H36O5/c1-7-9-10-16(3)13-18(5)25(30)31-23-12-11-20(24(28)29)26(6)15-19(17(4)8-2)22(27)14-21(23)26/h8,13-14,16,20,23H,2,7,9-12,15H2,1,3-6H3,(H,28,29)/b18-13+,19-17?/t16?,20-,23-,26-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085419
PNG
((E)-2,4-Dimethyl-oct-2-enoic acid (1R,4S,4aR,6S)-4...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:31.31,t:37|
Show InChI InChI=1S/C29H43O9P/c1-8-11-12-19(4)15-20(5)27(32)37-26-14-13-23(28(33)38-39(34,35-9-2)36-10-3)29(7)17-22(21(6)18-30)25(31)16-24(26)29/h15-16,18-19,23,26H,8-14,17H2,1-7H3/b20-15+,22-21?/t19?,23-,26-,29-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085434
PNG
((E)-2,4-Dimethyl-oct-2-enoic acid (1R,4S,4aR,6S)-4...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)OC(NC2CCCCC2)=NC2CCCCC2)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:38.40,27.28,t:46|
Show InChI InChI=1S/C38H56N2O6/c1-6-7-14-25(2)21-26(3)35(43)45-34-20-19-31(38(5)23-30(27(4)24-41)33(42)22-32(34)38)36(44)46-37(39-28-15-10-8-11-16-28)40-29-17-12-9-13-18-29/h21-22,24-25,28-29,31,34H,6-20,23H2,1-5H3,(H,39,40)/b26-21+,30-27?/t25?,31-,34-,38-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085428
PNG
((3S,3aS,4aS,5S,8R,8aS,9aR)-8-((E)-2,4-Dimethyl-oct...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]3[C@H](C)CO[C@]3(O)C[C@H]12
Show InChI InChI=1S/C25H40O6/c1-6-7-8-15(2)11-16(3)23(28)31-21-10-9-18(22(26)27)24(5)12-19-17(4)14-30-25(19,29)13-20(21)24/h11,15,17-21,29H,6-10,12-14H2,1-5H3,(H,26,27)/b16-11+/t15?,17-,18-,19+,20-,21-,24-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50085420
PNG
((4aR,5S)-3,4a-Dimethyl-2-oxo-2,4,4a,5,6,7-hexahydr...)
Show SMILES CC1=C2C[C@]3(C)[C@H](CCC=C3C=C2OC1=O)C(O)=O |c:1,9,12|
Show InChI InChI=1S/C15H16O4/c1-8-10-7-15(2)9(6-12(10)19-14(8)18)4-3-5-11(15)13(16)17/h4,6,11H,3,5,7H2,1-2H3,(H,16,17)/t11-,15+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%