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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'xu' and Initial = 'zl'   
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)
BDBM50485906
PNG
(CHEMBL2180587)
Show SMILES Oc1c(nc(NCCCCCCNC=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-17-9-7-16(8-10-17)14-28-23(32)20-21(31)19-18(6-5-13-26-19)22(29-20)27-12-4-2-1-3-11-25-15-30/h5-10,13,15,31H,1-4,11-12,14H2,(H,25,30)(H,27,29)(H,28,32)
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n/an/a 200n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485904
PNG
(CHEMBL2180591)
Show SMILES C[C@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m1/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485905
PNG
(CHEMBL2180589)
Show SMILES OCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
Show InChI InChI=1S/C18H17FN4O3/c19-12-5-3-11(4-6-12)10-22-18(26)15-16(25)14-13(2-1-7-20-14)17(23-15)21-8-9-24/h1-7,24-25H,8-10H2,(H,21,23)(H,22,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50021581
PNG
(CHEMBL414850 | L-870810)
Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
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/h3-9,26H,1-2,10-12H2,(H,23,27)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485914
PNG
(CHEMBL2180590)
Show SMILES C[C@@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m0/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485907
PNG
(CHEMBL2180599)
Show SMILES Oc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)
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n/an/a 500n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485917
PNG
(CHEMBL2180585)
Show SMILES CS(=O)(=O)NCCCN(c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H24FN5O6S2/c1-34(30,31)25-11-4-12-27(35(2,32)33)20-16-5-3-10-23-17(16)19(28)18(26-20)21(29)24-13-14-6-8-15(22)9-7-14/h3,5-10,25,28H,4,11-13H2,1-2H3,(H,24,29)
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n/an/a 700n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485913
PNG
(CHEMBL2180586)
Show SMILES CS(=O)(=O)NCCCCCCN(c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)S(C)(=O)=O
Show InChI InChI=1S/C24H30FN5O6S2/c1-37(33,34)28-14-5-3-4-6-15-30(38(2,35)36)23-19-8-7-13-26-20(19)22(31)21(29-23)24(32)27-16-17-9-11-18(25)12-10-17/h7-13,28,31H,3-6,14-16H2,1-2H3,(H,27,32)
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n/an/a 700n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485911
PNG
(CHEMBL2180588)
Show SMILES Oc1c(nc(NCCc2c[nH]c3ccccc23)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042195
PNG
(CHEMBL3360188)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3nc4n(CCN5CCNCC5)c(=O)[nH]c4c4ncccc34)c(F)c2)c1=O
Show InChI InChI=1S/C33H28F2N8O4/c34-20-5-8-22(9-6-20)42-14-2-4-24(32(42)45)30(44)38-21-7-10-26(25(35)19-21)47-31-23-3-1-11-37-27(23)28-29(40-31)43(33(46)39-28)18-17-41-15-12-36-13-16-41/h1-11,14,19,36H,12-13,15-18H2,(H,38,44)(H,39,46)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042274
PNG
(CHEMBL3360682)
Show SMILES N[C@H]1CC[C@@H](CC1)n1c2c(nc(Oc3ccc(cc3)C(=O)N3CCCCC3)c3cccnc23)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r,wU:4.7,wD:1.0,(7.98,-18.18,;9.01,-17.04,;10.51,-17.36,;11.55,-16.21,;11.06,-14.76,;9.56,-14.43,;8.53,-15.57,;12.09,-13.61,;11.76,-12.1,;13.09,-11.33,;13.09,-9.78,;11.75,-9.02,;11.74,-7.48,;13.07,-6.7,;14.4,-7.47,;15.73,-6.7,;15.72,-5.15,;14.37,-4.39,;13.05,-5.17,;17.05,-4.38,;17.04,-2.84,;18.39,-5.14,;18.39,-6.68,;19.72,-7.44,;21.06,-6.67,;21.05,-5.13,;19.71,-4.36,;10.42,-9.79,;9.09,-9.03,;7.76,-9.8,;7.76,-11.34,;9.09,-12.11,;10.42,-11.34,;14.24,-12.36,;15.75,-12.03,;16.78,-13.17,;16.31,-14.63,;17.34,-15.78,;18.85,-15.45,;19.88,-16.59,;19.32,-13.98,;20.82,-13.65,;18.28,-12.84,;13.62,-13.77,;14.4,-15.1,)|
Show InChI InChI=1S/C34H34Cl2N6O3/c35-27-15-6-21(19-28(27)36)20-41-31-30(42(34(41)44)24-11-9-23(37)10-12-24)29-26(5-4-16-38-29)32(39-31)45-25-13-7-22(8-14-25)33(43)40-17-2-1-3-18-40/h4-8,13-16,19,23-24H,1-3,9-12,17-18,20,37H2/t23-,24-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042189
PNG
(CHEMBL3360676)
Show SMILES CN1CCC(Cn2c3nc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c4cccnc4c3[nH]c2=O)CC1
Show InChI InChI=1S/C34H29F2N7O4/c1-41-16-12-20(13-17-41)19-43-30-29(39-34(43)46)28-24(4-2-14-37-28)32(40-30)47-27-11-8-22(18-26(27)36)38-31(44)25-5-3-15-42(33(25)45)23-9-6-21(35)7-10-23/h2-11,14-15,18,20H,12-13,16-17,19H2,1H3,(H,38,44)(H,39,46)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042192
PNG
(CHEMBL3360673)
Show SMILES Oc1ccc(Cn2c3nc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c4cccnc4c3[nH]c2=O)cc1
Show InChI InChI=1S/C34H22F2N6O5/c35-20-7-10-22(11-8-20)41-16-2-4-25(33(41)45)31(44)38-21-9-14-27(26(36)17-21)47-32-24-3-1-15-37-28(24)29-30(40-32)42(34(46)39-29)18-19-5-12-23(43)13-6-19/h1-17,43H,18H2,(H,38,44)(H,39,46)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042272
PNG
(CHEMBL3360181)
Show SMILES COc1cc(NCc2ccc3cnc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)ccn1
Show InChI InChI=1S/C23H20N6O2/c1-31-19-11-17(9-10-24-19)25-13-18-8-7-16-12-26-22-21(20(16)27-18)29(23(30)28-22)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,24,25)(H,26,28,30)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492314
PNG
(CHEMBL2398137)
Show SMILES [H][C@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC |r,c:18|
Show InChI InChI=1S/C76H112N16O15/c1-11-45(6)62-70(103)87-56(37-44(4)5)67(100)91-75(9,72(106)82-42-60(95)84-54(28-23-35-80-74(78)79)64(97)88-59(71(104)105)40-50-41-81-53-27-20-19-26-52(50)53)33-21-14-12-13-15-22-34-76(10,73(107)89-55(36-43(2)3)66(99)90-62)92-68(101)58(38-48-24-17-16-18-25-48)86-65(98)57(39-49-29-31-51(94)32-30-49)85-63(96)46(7)83-69(102)61(77)47(8)93/h12-13,16-20,24-27,29-32,41,43-47,54-59,61-62,81,93-94H,11,14-15,21-23,28,33-40,42,77H2,1-10H3,(H,82,106)(H,83,102)(H,84,95)(H,85,96)(H,86,98)(H,87,103)(H,88,97)(H,89,107)(H,90,99)(H,91,100)(H,92,101)(H,104,105)(H4,78,79,80)/b13-12-/t45-,46-,47+,54-,55-,56-,57-,58-,59-,61-,62-,75-,76-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 ...


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492308
PNG
(CHEMBL2398138)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O |r,c:13|
Show InChI InChI=1S/C97H123N17O21/c1-53(2)43-72-85(124)106-71(27-18-21-41-98)84(123)108-73(44-54(3)4)87(126)113-95(7,92(132)103-52-79(119)105-70(28-22-42-101-94(99)100)83(122)110-76(90(129)130)48-60-51-102-69-26-17-16-25-64(60)69)39-19-11-9-10-12-20-40-96(8,93(133)111-72)114-88(127)75(45-57-23-14-13-15-24-57)109-86(125)74(46-58-29-32-61(116)33-30-58)107-81(120)55(5)104-89(128)80(56(6)115)112-82(121)59-31-36-66-65(47-59)91(131)135-97(66)67-37-34-62(117)49-77(67)134-78-50-63(118)35-38-68(78)97/h9-10,13-17,23-26,29-38,47,49-51,53-56,70-76,80,102,115-118H,11-12,18-22,27-28,39-46,48,52,98H2,1-8H3,(H,103,132)(H,104,128)(H,105,119)(H,106,124)(H,107,120)(H,108,123)(H,109,125)(H,110,122)(H,111,133)(H,112,121)(H,113,126)(H,114,127)(H,129,130)(H4,99,100,101)/b10-9-/t55-,56+,70-,71-,72-,73-,74-,75-,76-,80-,95-,96-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492308
PNG
(CHEMBL2398138)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O |r,c:13|
Show InChI InChI=1S/C97H123N17O21/c1-53(2)43-72-85(124)106-71(27-18-21-41-98)84(123)108-73(44-54(3)4)87(126)113-95(7,92(132)103-52-79(119)105-70(28-22-42-101-94(99)100)83(122)110-76(90(129)130)48-60-51-102-69-26-17-16-25-64(60)69)39-19-11-9-10-12-20-40-96(8,93(133)111-72)114-88(127)75(45-57-23-14-13-15-24-57)109-86(125)74(46-58-29-32-61(116)33-30-58)107-81(120)55(5)104-89(128)80(56(6)115)112-82(121)59-31-36-66-65(47-59)91(131)135-97(66)67-37-34-62(117)49-77(67)134-78-50-63(118)35-38-68(78)97/h9-10,13-17,23-26,29-38,47,49-51,53-56,70-76,80,102,115-118H,11-12,18-22,27-28,39-46,48,52,98H2,1-8H3,(H,103,132)(H,104,128)(H,105,119)(H,106,124)(H,107,120)(H,108,123)(H,109,125)(H,110,122)(H,111,133)(H,112,121)(H,113,126)(H,114,127)(H,129,130)(H4,99,100,101)/b10-9-/t55-,56+,70-,71-,72-,73-,74-,75-,76-,80-,95-,96-/m0/s1
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UniProtKB/TrEMBL

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n/an/a 6.00E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492312
PNG
(CHEMBL2398127)
Show SMILES CC(C)C[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H117N17O15/c1-11-13-21-35-77(9,74(109)85-45-63(98)87-56(30-24-38-83-76(81)82)66(100)92-62(73(107)108)43-52-44-84-55-28-19-18-27-54(52)55)94-70(104)59(40-47(5)6)90-67(101)57(29-20-23-37-79)88-68(102)58(39-46(3)4)93-75(110)78(10,36-22-14-12-2)95-71(105)61(41-50-25-16-15-17-26-50)91-69(103)60(42-51-31-33-53(97)34-32-51)89-65(99)48(7)86-72(106)64(80)49(8)96/h11-12,15-19,25-28,31-34,44,46-49,56-62,64,84,96-97H,1-2,13-14,20-24,29-30,35-43,45,79-80H2,3-10H3,(H,85,109)(H,86,106)(H,87,98)(H,88,102)(H,89,99)(H,90,101)(H,91,103)(H,92,100)(H,93,110)(H,94,104)(H,95,105)(H,107,108)(H4,81,82,83)/t48-,49+,56-,57-,58-,59-,60-,61-,62-,64-,77-,78-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485906
PNG
(CHEMBL2180587)
Show SMILES Oc1c(nc(NCCCCCCNC=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-17-9-7-16(8-10-17)14-28-23(32)20-21(31)19-18(6-5-13-26-19)22(29-20)27-12-4-2-1-3-11-25-15-30/h5-10,13,15,31H,1-4,11-12,14H2,(H,25,30)(H,27,29)(H,28,32)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492321
PNG
(CHEMBL2398128)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r,c:30|
Show InChI InChI=1S/C76H113N17O15/c1-44(2)37-56-66(100)86-55(27-18-21-35-77)65(99)88-57(38-45(3)4)68(102)92-75(7,72(107)83-43-61(96)85-54(28-22-36-81-74(79)80)64(98)90-60(71(105)106)41-50-42-82-53-26-17-16-25-52(50)53)33-19-11-9-10-12-20-34-76(8,73(108)91-56)93-69(103)59(39-48-23-14-13-15-24-48)89-67(101)58(40-49-29-31-51(95)32-30-49)87-63(97)46(5)84-70(104)62(78)47(6)94/h9-10,13-17,23-26,29-32,42,44-47,54-60,62,82,94-95H,11-12,18-22,27-28,33-41,43,77-78H2,1-8H3,(H,83,107)(H,84,104)(H,85,96)(H,86,100)(H,87,97)(H,88,99)(H,89,101)(H,90,98)(H,91,108)(H,92,102)(H,93,103)(H,105,106)(H4,79,80,81)/b10-9-/t46-,47+,54-,55-,56-,57-,58-,59-,60-,62-,75-,76-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492318
PNG
(CHEMBL2398124)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C92H117N17O21/c1-47(2)36-68(83(120)99-50(7)78(115)98-46-76(114)101-66(23-17-35-96-91(94)95)81(118)108-73(89(126)127)42-56-45-97-65-21-14-13-20-60(56)65)104-82(119)67(22-15-16-34-93)102-84(121)69(37-48(3)4)105-85(122)70(38-49(5)6)106-87(124)72(39-53-18-11-10-12-19-53)107-86(123)71(40-54-24-27-57(111)28-25-54)103-79(116)51(8)100-88(125)77(52(9)110)109-80(117)55-26-31-62-61(41-55)90(128)130-92(62)63-32-29-58(112)43-74(63)129-75-44-59(113)30-33-64(75)92/h10-14,18-21,24-33,41,43-45,47-52,66-73,77,97,110-113H,15-17,22-23,34-40,42,46,93H2,1-9H3,(H,98,115)(H,99,120)(H,100,125)(H,101,114)(H,102,121)(H,103,116)(H,104,119)(H,105,122)(H,106,124)(H,107,123)(H,108,118)(H,109,117)(H,126,127)(H4,94,95,96)/t50-,51-,52+,66-,67-,68-,69-,70-,71-,72-,73-,77-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485904
PNG
(CHEMBL2180591)
Show SMILES C[C@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485914
PNG
(CHEMBL2180590)
Show SMILES C[C@@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492312
PNG
(CHEMBL2398127)
Show SMILES CC(C)C[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H117N17O15/c1-11-13-21-35-77(9,74(109)85-45-63(98)87-56(30-24-38-83-76(81)82)66(100)92-62(73(107)108)43-52-44-84-55-28-19-18-27-54(52)55)94-70(104)59(40-47(5)6)90-67(101)57(29-20-23-37-79)88-68(102)58(39-46(3)4)93-75(110)78(10,36-22-14-12-2)95-71(105)61(41-50-25-16-15-17-26-50)91-69(103)60(42-51-31-33-53(97)34-32-51)89-65(99)48(7)86-72(106)64(80)49(8)96/h11-12,15-19,25-28,31-34,44,46-49,56-62,64,84,96-97H,1-2,13-14,20-24,29-30,35-43,45,79-80H2,3-10H3,(H,85,109)(H,86,106)(H,87,98)(H,88,102)(H,89,99)(H,90,101)(H,91,103)(H,92,100)(H,93,110)(H,94,104)(H,95,105)(H,107,108)(H4,81,82,83)/t48-,49+,56-,57-,58-,59-,60-,61-,62-,64-,77-,78-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492321
PNG
(CHEMBL2398128)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r,c:30|
Show InChI InChI=1S/C76H113N17O15/c1-44(2)37-56-66(100)86-55(27-18-21-35-77)65(99)88-57(38-45(3)4)68(102)92-75(7,72(107)83-43-61(96)85-54(28-22-36-81-74(79)80)64(98)90-60(71(105)106)41-50-42-82-53-26-17-16-25-52(50)53)33-19-11-9-10-12-20-34-76(8,73(108)91-56)93-69(103)59(39-48-23-14-13-15-24-48)89-67(101)58(40-49-29-31-51(95)32-30-49)87-63(97)46(5)84-70(104)62(78)47(6)94/h9-10,13-17,23-26,29-32,42,44-47,54-60,62,82,94-95H,11-12,18-22,27-28,33-41,43,77-78H2,1-8H3,(H,83,107)(H,84,104)(H,85,96)(H,86,100)(H,87,97)(H,88,99)(H,89,101)(H,90,98)(H,91,108)(H,92,102)(H,93,103)(H,105,106)(H4,79,80,81)/b10-9-/t46-,47+,54-,55-,56-,57-,58-,59-,60-,62-,75-,76-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485905
PNG
(CHEMBL2180589)
Show SMILES OCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
Show InChI InChI=1S/C18H17FN4O3/c19-12-5-3-11(4-6-12)10-22-18(26)15-16(25)14-13(2-1-7-20-14)17(23-15)21-8-9-24/h1-7,24-25H,8-10H2,(H,21,23)(H,22,26)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50021581
PNG
(CHEMBL414850 | L-870810)
Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
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/h3-9,26H,1-2,10-12H2,(H,23,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492309
PNG
(CHEMBL2398136)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H116N16O15/c1-13-16-23-35-77(11,74(108)84-44-62(97)86-56(30-25-37-82-76(80)81)66(99)90-61(73(106)107)42-52-43-83-55-29-22-21-28-54(52)55)93-69(102)58(39-46(6)7)89-72(105)64(47(8)15-3)92-68(101)57(38-45(4)5)91-75(109)78(12,36-24-17-14-2)94-70(103)60(40-50-26-19-18-20-27-50)88-67(100)59(41-51-31-33-53(96)34-32-51)87-65(98)48(9)85-71(104)63(79)49(10)95/h13-14,18-22,26-29,31-34,43,45-49,56-61,63-64,83,95-96H,1-2,15-17,23-25,30,35-42,44,79H2,3-12H3,(H,84,108)(H,85,104)(H,86,97)(H,87,98)(H,88,100)(H,89,105)(H,90,99)(H,91,109)(H,92,101)(H,93,102)(H,94,103)(H,106,107)(H4,80,81,82)/t47-,48-,49+,56-,57-,58-,59-,60-,61-,63-,64-,77-,78-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485913
PNG
(CHEMBL2180586)
Show SMILES CS(=O)(=O)NCCCCCCN(c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)S(C)(=O)=O
Show InChI InChI=1S/C24H30FN5O6S2/c1-37(33,34)28-14-5-3-4-6-15-30(38(2,35)36)23-19-8-7-13-26-20(19)22(31)21(29-23)24(32)27-16-17-9-11-18(25)12-10-17/h7-13,28,31H,3-6,14-16H2,1-2H3,(H,27,32)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042271
PNG
(CHEMBL3360183)
Show SMILES O=c1[nH]c2ncc3ccc(CNc4ccc5ncccc5c4)nc3c2n1Cc1ccccc1
Show InChI InChI=1S/C26H20N6O/c33-26-31-25-24(32(26)16-17-5-2-1-3-6-17)23-19(14-29-25)8-9-21(30-23)15-28-20-10-11-22-18(13-20)7-4-12-27-22/h1-14,28H,15-16H2,(H,29,31,33)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485912
PNG
(CHEMBL2180600)
Show SMILES CS(=O)(=O)Oc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H13BrFN3O4S/c1-27(24,25)26-15-13-12(3-2-8-20-13)16(18)22-14(15)17(23)21-9-10-4-6-11(19)7-5-10/h2-8H,9H2,1H3,(H,21,23)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492310
PNG
(CHEMBL2398133)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC\C=C\CC[C@](C)(NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r,t:29|
Show InChI InChI=1S/C74H109N17O15/c1-42(2)35-54-64(98)84-53(25-16-19-33-75)63(97)86-55(36-43(3)4)66(100)90-73(7,70(105)81-41-59(94)83-52(26-20-34-79-72(77)78)62(96)88-58(69(103)104)39-48-40-80-51-24-15-14-23-50(48)51)31-17-9-10-18-32-74(8,71(106)89-54)91-67(101)57(37-46-21-12-11-13-22-46)87-65(99)56(38-47-27-29-49(93)30-28-47)85-61(95)44(5)82-68(102)60(76)45(6)92/h9-15,21-24,27-30,40,42-45,52-58,60,80,92-93H,16-20,25-26,31-39,41,75-76H2,1-8H3,(H,81,105)(H,82,102)(H,83,94)(H,84,98)(H,85,95)(H,86,97)(H,87,99)(H,88,96)(H,89,106)(H,90,100)(H,91,101)(H,103,104)(H4,77,78,79)/b10-9+/t44-,45+,52-,53-,54-,55-,56-,57-,58-,60-,73-,74-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 ...


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485907
PNG
(CHEMBL2180599)
Show SMILES Oc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485911
PNG
(CHEMBL2180588)
Show SMILES Oc1c(nc(NCCc2c[nH]c3ccccc23)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492321
PNG
(CHEMBL2398128)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r,c:30|
Show InChI InChI=1S/C76H113N17O15/c1-44(2)37-56-66(100)86-55(27-18-21-35-77)65(99)88-57(38-45(3)4)68(102)92-75(7,72(107)83-43-61(96)85-54(28-22-36-81-74(79)80)64(98)90-60(71(105)106)41-50-42-82-53-26-17-16-25-52(50)53)33-19-11-9-10-12-20-34-76(8,73(108)91-56)93-69(103)59(39-48-23-14-13-15-24-48)89-67(101)58(40-49-29-31-51(95)32-30-49)87-63(97)46(5)84-70(104)62(78)47(6)94/h9-10,13-17,23-26,29-32,42,44-47,54-60,62,82,94-95H,11-12,18-22,27-28,33-41,43,77-78H2,1-8H3,(H,83,107)(H,84,104)(H,85,96)(H,86,100)(H,87,97)(H,88,99)(H,89,101)(H,90,98)(H,91,108)(H,92,102)(H,93,103)(H,105,106)(H4,79,80,81)/b10-9-/t46-,47+,54-,55-,56-,57-,58-,59-,60-,62-,75-,76-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 ...


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492312
PNG
(CHEMBL2398127)
Show SMILES CC(C)C[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H117N17O15/c1-11-13-21-35-77(9,74(109)85-45-63(98)87-56(30-24-38-83-76(81)82)66(100)92-62(73(107)108)43-52-44-84-55-28-19-18-27-54(52)55)94-70(104)59(40-47(5)6)90-67(101)57(29-20-23-37-79)88-68(102)58(39-46(3)4)93-75(110)78(10,36-22-14-12-2)95-71(105)61(41-50-25-16-15-17-26-50)91-69(103)60(42-51-31-33-53(97)34-32-51)89-65(99)48(7)86-72(106)64(80)49(8)96/h11-12,15-19,25-28,31-34,44,46-49,56-62,64,84,96-97H,1-2,13-14,20-24,29-30,35-43,45,79-80H2,3-10H3,(H,85,109)(H,86,106)(H,87,98)(H,88,102)(H,89,99)(H,90,101)(H,91,103)(H,92,100)(H,93,110)(H,94,104)(H,95,105)(H,107,108)(H4,81,82,83)/t48-,49+,56-,57-,58-,59-,60-,61-,62-,64-,77-,78-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 ...


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492313
PNG
(CHEMBL2398125)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@](C)(N)CCCC=C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C76H113N17O14/c1-11-13-21-34-75(9,80)72(106)85-48(8)64(97)88-59(41-50-30-32-52(94)33-31-50)69(102)90-60(40-49-24-16-15-17-25-49)70(103)93-76(10,35-14-12-2)73(107)92-58(39-46(5)6)68(101)87-56(28-20-22-36-77)66(99)89-57(38-45(3)4)67(100)84-47(7)63(96)83-44-62(95)86-55(29-23-37-81-74(78)79)65(98)91-61(71(104)105)42-51-43-82-54-27-19-18-26-53(51)54/h11-12,15-19,24-27,30-33,43,45-48,55-61,82,94H,1-2,13-14,20-23,28-29,34-42,44,77,80H2,3-10H3,(H,83,96)(H,84,100)(H,85,106)(H,86,95)(H,87,101)(H,88,97)(H,89,99)(H,90,102)(H,91,98)(H,92,107)(H,93,103)(H,104,105)(H4,78,79,81)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,75-,76-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492309
PNG
(CHEMBL2398136)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H116N16O15/c1-13-16-23-35-77(11,74(108)84-44-62(97)86-56(30-25-37-82-76(80)81)66(99)90-61(73(106)107)42-52-43-83-55-29-22-21-28-54(52)55)93-69(102)58(39-46(6)7)89-72(105)64(47(8)15-3)92-68(101)57(38-45(4)5)91-75(109)78(12,36-24-17-14-2)94-70(103)60(40-50-26-19-18-20-27-50)88-67(100)59(41-51-31-33-53(96)34-32-51)87-65(98)48(9)85-71(104)63(79)49(10)95/h13-14,18-22,26-29,31-34,43,45-49,56-61,63-64,83,95-96H,1-2,15-17,23-25,30,35-42,44,79H2,3-12H3,(H,84,108)(H,85,104)(H,86,97)(H,87,98)(H,88,100)(H,89,105)(H,90,99)(H,91,109)(H,92,101)(H,93,102)(H,94,103)(H,106,107)(H4,80,81,82)/t47-,48-,49+,56-,57-,58-,59-,60-,61-,63-,64-,77-,78-/m0/s1
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492318
PNG
(CHEMBL2398124)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C92H117N17O21/c1-47(2)36-68(83(120)99-50(7)78(115)98-46-76(114)101-66(23-17-35-96-91(94)95)81(118)108-73(89(126)127)42-56-45-97-65-21-14-13-20-60(56)65)104-82(119)67(22-15-16-34-93)102-84(121)69(37-48(3)4)105-85(122)70(38-49(5)6)106-87(124)72(39-53-18-11-10-12-19-53)107-86(123)71(40-54-24-27-57(111)28-25-54)103-79(116)51(8)100-88(125)77(52(9)110)109-80(117)55-26-31-62-61(41-55)90(128)130-92(62)63-32-29-58(112)43-74(63)129-75-44-59(113)30-33-64(75)92/h10-14,18-21,24-33,41,43-45,47-52,66-73,77,97,110-113H,15-17,22-23,34-40,42,46,93H2,1-9H3,(H,98,115)(H,99,120)(H,100,125)(H,101,114)(H,102,121)(H,103,116)(H,104,119)(H,105,122)(H,106,124)(H,107,123)(H,108,118)(H,109,117)(H,126,127)(H4,94,95,96)/t50-,51-,52+,66-,67-,68-,69-,70-,71-,72-,73-,77-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50492317
PNG
(CHEMBL2398126)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,c:30|
Show InChI InChI=1S/C75H111N17O14/c1-44(2)37-56(66(99)83-46(5)62(95)82-43-61(94)85-54(28-22-36-80-73(77)78)64(97)90-60(70(103)104)41-50-42-81-53-26-17-16-25-52(50)53)88-65(98)55(27-18-21-35-76)86-67(100)57(38-45(3)4)91-72(106)75(8)34-20-12-10-9-11-19-33-74(7,79)71(105)84-47(6)63(96)87-58(40-49-29-31-51(93)32-30-49)68(101)89-59(69(102)92-75)39-48-23-14-13-15-24-48/h9-10,13-17,23-26,29-32,42,44-47,54-60,81,93H,11-12,18-22,27-28,33-41,43,76,79H2,1-8H3,(H,82,95)(H,83,99)(H,84,105)(H,85,94)(H,86,100)(H,87,96)(H,88,98)(H,89,101)(H,90,97)(H,91,106)(H,92,102)(H,103,104)(H4,77,78,80)/b10-9-/t46-,47-,54-,55-,56-,57-,58-,59-,60-,74-,75-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins


J Med Chem 56: 5601-12 (2013)


Article DOI: 10.1021/jm4006516
BindingDB Entry DOI: 10.7270/Q2VX0KFJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50042057
PNG
(CHEMBL3360679)
Show SMILES Nc1c(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)ccnc1NC(=O)CCl
Show InChI InChI=1S/C24H20ClF2N5O4/c25-12-19(33)32-21-20(28)18(7-10-29-21)36-17-6-5-15(11-16(17)27)31-23(35)24(8-9-24)22(34)30-14-3-1-13(26)2-4-14/h1-7,10-11H,8-9,12,28H2,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Bioorg Med Chem Lett 25: 708-16 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.070
BindingDB Entry DOI: 10.7270/Q21C1ZHD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493201
PNG
(CHEMBL1374702)
Show SMILES CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493202
PNG
(CHEMBL2419618)
Show SMILES Oc1ccccc1NC(=O)c1nc[nH]c1C(=O)N1CCOCC1
Show InChI InChI=1S/C15H16N4O4/c20-11-4-2-1-3-10(11)18-14(21)12-13(17-9-16-12)15(22)19-5-7-23-8-6-19/h1-4,9,20H,5-8H2,(H,16,17)(H,18,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493203
PNG
(CHEMBL2417573)
Show SMILES O=C(Nc1ccccn1)c1nc[nH]c1C(=O)N1CCNCC1
Show InChI InChI=1S/C14H16N6O2/c21-13(19-10-3-1-2-4-16-10)11-12(18-9-17-11)14(22)20-7-5-15-6-8-20/h1-4,9,15H,5-8H2,(H,17,18)(H,16,19,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493204
PNG
(CHEMBL2419626)
Show SMILES O=C(Nc1ccccn1)c1nc[nH]c1C(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N5O3/c20-13(18-10-3-1-2-4-15-10)11-12(17-9-16-11)14(21)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,16,17)(H,15,18,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493205
PNG
(CHEMBL2419623)
Show SMILES OC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493206
PNG
(CHEMBL1703922)
Show SMILES OC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,(H,13,14)(H,15,16)(H,17,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493201
PNG
(CHEMBL1374702)
Show SMILES CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493207
PNG
(CHEMBL2419620)
Show SMILES Oc1ccccc1NC(=O)c1nc[nH]c1C(=O)N1CCNCC1
Show InChI InChI=1S/C15H17N5O3/c21-11-4-2-1-3-10(11)19-14(22)12-13(18-9-17-12)15(23)20-7-5-16-6-8-20/h1-4,9,16,21H,5-8H2,(H,17,18)(H,19,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493208
PNG
(CHEMBL2419619)
Show SMILES OC1CCN(CC1)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1O
Show InChI InChI=1S/C16H18N4O4/c21-10-5-7-20(8-6-10)16(24)14-13(17-9-18-14)15(23)19-11-3-1-2-4-12(11)22/h1-4,9-10,21-22H,5-8H2,(H,17,18)(H,19,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity


Bioorg Med Chem 21: 5963-72 (2013)


Article DOI: 10.1016/j.bmc.2013.07.047
BindingDB Entry DOI: 10.7270/Q2057JVT
More data for this
Ligand-Target Pair
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