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PubMed code 15771437

Compile data set for download or QSAR
Found 42 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)		BDBM50410310
PNG
(CHEMBL2079773)
Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2
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n/an/a 10n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50410311
PNG
(CHEMBL2068731)
Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C([O-])=O
Show InChI InChI=1S/C20H19O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11-13H,10H2,1-2H3,(H,23,24)/q-1/p-1
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n/an/a 50n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422732
PNG
(CHEMBL424782)
Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl
Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-2-1-7(5-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2
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n/an/a 112n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422734
PNG
(CHEMBL368301)
Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl
Show InChI InChI=1S/C17H9ClFN3O4/c18-8-5-7(1-2-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2
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n/an/a 178n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422722
PNG
(CHEMBL360752)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2
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n/an/a 186n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422731
PNG
(CHEMBL425516)
Show SMILES Brc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C17H10BrN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2
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n/an/a 209n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422706
PNG
(CHEMBL367104)
Show SMILES Clc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2
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n/an/a 219n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422718
PNG
(CHEMBL177640)
Show SMILES Cc1ccc2c(O)c3C(=O)N(Cc4cccc(Br)c4)C(=O)c3c(O)c2n1
Show InChI InChI=1S/C19H13BrN2O4/c1-9-5-6-12-15(21-9)17(24)14-13(16(12)23)18(25)22(19(14)26)8-10-3-2-4-11(20)7-10/h2-7,23-24H,8H2,1H3
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n/an/a 257n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422733
PNG
(CHEMBL414654)
Show SMILES Fc1ccc(Br)cc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C17H9BrFN3O4/c18-8-1-2-9(19)7(5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2
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n/an/a 355n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422697
PNG
(CHEMBL362252)
Show SMILES Fc1cc(F)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C17H9F2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2
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n/an/a 372n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422703
PNG
(CHEMBL366982)
Show SMILES Oc1c2C(=O)N(Cc3cccc(Br)c3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C18H11BrN2O4/c19-10-4-1-3-9(7-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)5-2-6-20-14/h1-7,22-23H,8H2
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n/an/a 380n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422711
PNG
(CHEMBL360274)
Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2
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n/an/a 417n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422699
PNG
(CHEMBL369841)
Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2
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n/an/a 417n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422700
PNG
(CHEMBL177515)
Show SMILES COc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1OC
Show InChI InChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3
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n/an/a 427n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422721
PNG
(CHEMBL177622)
Show SMILES FC(F)(F)c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)9-3-1-2-8(6-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-4-5-23-13/h1-6,22-23H,7H2
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n/an/a 427n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422704
PNG
(CHEMBL177215)
Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c(OC)c1
Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-9(11(7-10)28-2)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3
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n/an/a 427n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422728
PNG
(CHEMBL424780)
Show SMILES Fc1cc(Br)ccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C17H9BrFN3O4/c18-8-2-1-7(9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2
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n/an/a 437n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422702
PNG
(CHEMBL174793)
Show SMILES Fc1ccccc1-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C23H14FN3O4/c24-15-7-2-1-6-14(15)13-5-3-4-12(10-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-8-9-26-19/h1-10,25-26H,11H2
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n/an/a 501n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422715
PNG
(CHEMBL177690)
Show SMILES Fc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2
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n/an/a 562n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422696
PNG
(CHEMBL174001)
Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C18H13N3O5/c1-26-10-4-2-9(3-5-10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3
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n/an/a 562n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422724
PNG
(CHEMBL177724)
Show SMILES O=c1n(Cc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C18H11N3O6/c22-15-11-12(16(23)14-13(15)19-3-4-20-14)18(25)21(17(11)24)6-8-1-2-9-10(5-8)27-7-26-9/h1-5,19-20H,6-7H2
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n/an/a 562n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422708
PNG
(CHEMBL177380)
Show SMILES Brc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C17H10BrN3O4/c18-9-4-2-1-3-8(9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2
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n/an/a 631n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422698
PNG
(CHEMBL368424)
Show SMILES Cc1csc(c1)-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C22H15N3O4S/c1-11-7-14(30-10-11)13-4-2-3-12(8-13)9-25-21(28)15-16(22(25)29)20(27)18-17(19(15)26)23-5-6-24-18/h2-8,10,23-24H,9H2,1H3
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n/an/a 676n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422730
PNG
(CHEMBL177405)
Show SMILES COc1ccc(OC)c(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1
Show InChI InChI=1S/C19H15N3O6/c1-27-10-3-4-11(28-2)9(7-10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3
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n/an/a 776n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422713
PNG
(CHEMBL177311)
Show SMILES COc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3
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n/an/a 813n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422709
PNG
(CHEMBL174851)
Show SMILES Fc1ccccc1-c1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C23H14FN3O4/c24-15-4-2-1-3-14(15)13-7-5-12(6-8-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-9-10-26-19/h1-10,25-26H,11H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422705
PNG
(CHEMBL368509)
Show SMILES C[C@H](c1ccccc1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C18H13N3O4/c1-9(10-5-3-2-4-6-10)21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-7-8-20-14/h2-9,19-20H,1H3/t9-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422695
PNG
(CHEMBL175404)
Show SMILES O=c1n(Cc2cccc3ccccc23)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C21H13N3O4/c25-18-14-15(19(26)17-16(18)22-8-9-23-17)21(28)24(20(14)27)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,22-23H,10H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422717
PNG
(CHEMBL175671)
Show SMILES O=c1n(CCc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C19H13N3O6/c23-16-12-13(17(24)15-14(16)20-4-5-21-15)19(26)22(18(12)25)6-3-9-1-2-10-11(7-9)28-8-27-10/h1-2,4-5,7,20-21H,3,6,8H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422727
PNG
(CHEMBL367945)
Show SMILES O=c1n(Cc2ccc(cc2)-c2ccccc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C23H15N3O4/c27-20-16-17(21(28)19-18(20)24-10-11-25-19)23(30)26(22(16)29)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,24-25H,12H2
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n/an/a 1.45E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422712
PNG
(CHEMBL177704)
Show SMILES Cc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C18H13N3O4/c1-9-2-4-10(5-3-9)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422714
PNG
(CHEMBL177547)
Show SMILES COc1cccc(OC)c1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-5-11(28-2)9(10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-6-7-21-15/h3-7,20-21H,8H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422701
PNG
(CHEMBL366712)
Show SMILES C[C@@H](c1ccccc1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C18H13N3O4/c1-9(10-5-3-2-4-6-10)21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-7-8-20-14/h2-9,19-20H,1H3/t9-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422707
PNG
(CHEMBL435337)
Show SMILES O=c1n(CCc2ccccc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C18H13N3O4/c22-15-11-12(16(23)14-13(15)19-7-8-20-14)18(25)21(17(11)24)9-6-10-4-2-1-3-5-10/h1-5,7-8,19-20H,6,9H2
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n/an/a 2.04E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422720
PNG
(CHEMBL177705)
Show SMILES FC(F)(F)Oc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1
Show InChI InChI=1S/C18H10F3N3O5/c19-18(20,21)29-9-3-1-8(2-4-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-5-6-23-13/h1-6,22-23H,7H2
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n/an/a 2.04E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422723
PNG
(CHEMBL367772)
Show SMILES O=c1n(CC2CCCCC2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C17H17N3O4/c21-14-10-11(15(22)13-12(14)18-6-7-19-13)17(24)20(16(10)23)8-9-4-2-1-3-5-9/h6-7,9,18-19H,1-5,8H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422716
PNG
(CHEMBL176023)
Show SMILES O=C(N1CCC(CC1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O)c1ccccc1
Show InChI InChI=1S/C22H18N4O5/c27-18-14-15(19(28)17-16(18)23-8-9-24-17)22(31)26(21(14)30)13-6-10-25(11-7-13)20(29)12-4-2-1-3-5-12/h1-5,8-9,13,23-24H,6-7,10-11H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422719
PNG
(CHEMBL360065)
Show SMILES Brc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH][nH]ccc2c3=O)c1
Show InChI InChI=1S/C17H10BrN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)11-12(17(21)25)15(23)13-10(14(11)22)4-5-19-20-13/h1-6,19-20H,7H2
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n/an/a 3.63E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422729
PNG
(CHEMBL369808)
Show SMILES O=c1n(Cc2ccncc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C16H10N4O4/c21-13-9-10(14(22)12-11(13)18-5-6-19-12)16(24)20(15(9)23)7-8-1-3-17-4-2-8/h1-6,18-19H,7H2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422725
PNG
(CHEMBL177673)
Show SMILES O=c1n(-c2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C17H9N3O6/c21-14-10-11(15(22)13-12(14)18-3-4-19-13)17(24)20(16(10)23)7-1-2-8-9(5-7)26-6-25-8/h1-5,18-19H,6H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422710
PNG
(CHEMBL177562)
Show SMILES O=c1n(C2CCCC2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C15H13N3O4/c19-12-8-9(13(20)11-10(12)16-5-6-17-11)15(22)18(14(8)21)7-3-1-2-4-7/h5-7,16-17H,1-4H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50422726
PNG
(CHEMBL177451)
Show SMILES Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O
Show InChI InChI=1S/C11H7N3O4/c1-14-10(17)4-5(11(14)18)9(16)7-6(8(4)15)12-2-3-13-7/h2-3,12-13H,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Log of inhibitory concentration against human immunodeficiency virus type 1 integrase

J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%