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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'sorenson' and Initial = 'e'   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010161
PNG
(CHEMBL2370397 | [16-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES CN1[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)SSC[C@@H](NC(C)=O)C1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
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58n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010161
PNG
(CHEMBL2370397 | [16-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES CN1[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)SSC[C@@H](NC(C)=O)C1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
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62n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50040751
PNG
(CHEMBL351938 | [(4S,7S,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C22H37N9O8S2/c1-10(32)28-13-9-40-41-22(2,3)16(17(23)36)31-19(38)12(7-15(34)35)29-14(33)8-27-18(37)11(30-20(13)39)5-4-6-26-21(24)25/h11-13,16H,4-9H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12+,13-,16+/m1/s1
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720n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010176
PNG
(CHEMBL107009 | [(4S,7R,13R,16S)-16-Acetylamino-4-c...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C20H33N9O8S2/c1-9(30)26-13-8-39-38-7-12(16(21)34)29-18(36)11(5-15(32)33)27-14(31)6-25-17(35)10(28-19(13)37)3-2-4-24-20(22)23/h10-13H,2-8H2,1H3,(H2,21,34)(H,25,35)(H,26,30)(H,27,31)(H,28,37)(H,29,36)(H,32,33)(H4,22,23,24)/t10-,11-,12-,13-/m1/s1
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780n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003326
PNG
(3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010187
PNG
(CHEMBL320288 | [19-Acetylamino-4-carbamoyl-16-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H38N10O10S2/c1-10(35)29-15-9-45-44-8-14(18(24)39)33-21(42)13(7-34)32-20(41)12(5-17(37)38)30-16(36)6-28-19(40)11(31-22(15)43)3-2-4-27-23(25)26/h11-15,34H,2-9H2,1H3,(H2,24,39)(H,28,40)(H,29,35)(H,30,36)(H,31,43)(H,32,41)(H,33,42)(H,37,38)(H4,25,26,27)/t11-,12-,13+,14+,15-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010184
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H34N8O7/c1-9(2)15(16(20)32)27-18(34)12(7-14(30)31)26-13(29)8-24-17(33)11(25-10(3)28)5-4-6-23-19(21)22/h9,11-12,15H,4-8H2,1-3H3,(H2,20,32)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t11-,12-,15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010167
PNG
(1N-[1-[5-amino-1-formyl-(1S)-pentylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H82N18O17/c1-25(2)14-34(68-50(84)36(16-31-19-56-24-61-31)69-49(83)35(64-29(7)71)15-30-18-55-23-60-30)46(80)59-20-39(73)57-21-40(74)62-28(6)45(79)66-32(10-8-9-13-53)48(82)67-33(11-12-38(54)72)47(81)63-27(5)44(78)58-22-41(75)65-37(17-42(76)77)51(85)70-43(26(3)4)52(86)87/h18-19,23-28,32-37,43H,8-17,20-22,53H2,1-7H3,(H2,54,72)(H,55,60)(H,56,61)(H,57,73)(H,58,78)(H,59,80)(H,62,74)(H,63,81)(H,64,71)(H,65,75)(H,66,79)(H,67,82)(H,68,84)(H,69,83)(H,70,85)(H,76,77)(H,86,87)/t27-,28-,32-,33-,34-,35-,36-,37-,43-/m0/s1
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1.45E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003326
PNG
(3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1
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6.20E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042005
PNG
(CHEMBL3360113)
Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042022
PNG
(CHEMBL3360128)
Show SMILES COCCN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042014
PNG
(CHEMBL3360121)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C19H19FN6O4/c1-25-17(12-4-5-30-8-12)24-15(16(27)19(25)29)18(28)22-7-11-2-3-13(20)6-14(11)26-10-21-9-23-26/h2-3,6,9-10,12,27H,4-5,7-8H2,1H3,(H,22,28)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042007
PNG
(CHEMBL3360111)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C17H18FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-5,11,22H,6-9H2,1H3,(H,19,23)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042004
PNG
(CHEMBL3360114)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCO1
Show InChI InChI=1S/C18H20FN3O4/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042003
PNG
(CHEMBL3360115)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCS1
Show InChI InChI=1S/C18H20FN3O3S/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042032
PNG
(CHEMBL3360116)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C18H20FN3O4/c1-22-16(12-6-8-26-9-7-12)21-14(15(23)18(22)25)17(24)20-10-11-2-4-13(19)5-3-11/h2-5,12,23H,6-10H2,1H3,(H,20,24)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042006
PNG
(CHEMBL3360112)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCC1O
Show InChI InChI=1S/C17H18FN3O5/c1-21-15(11-7-26-8-12(11)22)20-13(14(23)17(21)25)16(24)19-6-9-2-4-10(18)5-3-9/h2-5,11-12,22-23H,6-8H2,1H3,(H,19,24)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042017
PNG
(CHEMBL3360124)
Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042031
PNG
(CHEMBL3360137)
Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O
Show InChI InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042026
PNG
(CHEMBL3360132)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C20H21FN6O4/c1-26-18(12-4-6-31-7-5-12)25-16(17(28)20(26)30)19(29)23-9-13-2-3-14(21)8-15(13)27-11-22-10-24-27/h2-3,8,10-12,28H,4-7,9H2,1H3,(H,23,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042021
PNG
(CHEMBL3360127)
Show SMILES CN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042027
PNG
(CHEMBL3360133)
Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-12-24-11-25-28(12)16-9-15(22)4-3-14(16)10-23-20(30)17-18(29)21(31)27(2)19(26-17)13-5-7-32-8-6-13/h3-4,9,11,13,29H,5-8,10H2,1-2H3,(H,23,30)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042023
PNG
(CHEMBL3360129)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C19H22FN3O6S/c1-23-17(11-5-7-29-8-6-11)22-15(16(24)19(23)26)18(25)21-10-12-3-4-13(20)9-14(12)30(2,27)28/h3-4,9,11,24H,5-8,10H2,1-2H3,(H,21,25)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042013
PNG
(CHEMBL3360120)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C21H25FN4O6S/c1-25-19(14-6-8-32-12-14)24-17(18(27)21(25)29)20(28)23-11-13-4-5-15(22)10-16(13)26-7-2-3-9-33(26,30)31/h4-5,10,14,27H,2-3,6-9,11-12H2,1H3,(H,23,28)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042011
PNG
(CHEMBL3360118)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C18H20FN3O6S/c1-22-16(11-5-6-28-9-11)21-14(15(23)18(22)25)17(24)20-8-10-3-4-12(19)7-13(10)29(2,26)27/h3-4,7,11,23H,5-6,8-9H2,1-2H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042029
PNG
(CHEMBL3360135)
Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-27-18(12-5-7-32-8-6-12)26-16(17(29)21(27)31)20(30)23-10-13-3-4-14(22)9-15(13)19-24-11-25-28(19)2/h3-4,9,11-12,29H,5-8,10H2,1-2H3,(H,23,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042020
PNG
(CHEMBL3360126)
Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)S1(=O)=O
Show InChI InChI=1S/C22H28FN5O6S/c1-22(2)12-28(35(32,33)27(22)4)16-9-15(23)6-5-13(16)10-24-20(30)17-18(29)21(31)26(3)19(25-17)14-7-8-34-11-14/h5-6,9,14,29H,7-8,10-12H2,1-4H3,(H,24,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042016
PNG
(CHEMBL3360123)
Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-11-8-23-25-27(11)15-7-14(21)4-3-12(15)9-22-19(29)16-17(28)20(30)26(2)18(24-16)13-5-6-31-10-13/h3-4,7-8,13,28H,5-6,9-10H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042012
PNG
(CHEMBL3360119)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C19H23FN4O6S/c1-23(2)31(28,29)14-8-13(20)5-4-11(14)9-21-18(26)15-16(25)19(27)24(3)17(22-15)12-6-7-30-10-12/h4-5,8,12,25H,6-7,9-10H2,1-3H3,(H,21,26)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042010
PNG
(CHEMBL3360117)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCCCO1
Show InChI InChI=1S/C18H20FN3O4/c1-22-16(13-4-2-3-9-26-13)21-14(15(23)18(22)25)17(24)20-10-11-5-7-12(19)8-6-11/h5-8,13,23H,2-4,9-10H2,1H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042025
PNG
(CHEMBL3360131)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C22H27FN4O6S/c1-26-20(14-6-9-33-10-7-14)25-18(19(28)22(26)30)21(29)24-13-15-4-5-16(23)12-17(15)27-8-2-3-11-34(27,31)32/h4-5,12,14,28H,2-3,6-11,13H2,1H3,(H,24,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042024
PNG
(CHEMBL3360130)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H25FN4O6S/c1-24(2)32(29,30)15-10-14(21)5-4-13(15)11-22-19(27)16-17(26)20(28)25(3)18(23-16)12-6-8-31-9-7-12/h4-5,10,12,26H,6-9,11H2,1-3H3,(H,22,27)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042015
PNG
(CHEMBL3360122)
Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-11-23-10-24-27(11)15-7-14(21)4-3-12(15)8-22-19(29)16-17(28)20(30)26(2)18(25-16)13-5-6-31-9-13/h3-4,7,10,13,28H,5-6,8-9H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042028
PNG
(CHEMBL3360134)
Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-12-10-24-26-28(12)16-9-15(22)4-3-14(16)11-23-20(30)17-18(29)21(31)27(2)19(25-17)13-5-7-32-8-6-13/h3-4,9-10,13,29H,5-8,11H2,1-2H3,(H,23,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042019
PNG
(CHEMBL3360125)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C23H30FN5O6S/c1-23(2,3)29-9-8-28(36(29,33)34)17-11-16(24)6-5-14(17)12-25-21(31)18-19(30)22(32)27(4)20(26-18)15-7-10-35-13-15/h5-6,11,15,30H,7-10,12-13H2,1-4H3,(H,25,31)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042030
PNG
(CHEMBL3360136)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C24H32FN5O6S/c1-24(2,3)30-10-9-29(37(30,34)35)18-13-17(25)6-5-16(18)14-26-22(32)19-20(31)23(33)28(4)21(27-19)15-7-11-36-12-8-15/h5-6,13,15,31H,7-12,14H2,1-4H3,(H,26,32)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042018
PNG
(CHEMBL3352894)
Show SMILES Cn1cnnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-26-10-23-25-18(26)14-7-13(21)4-3-11(14)8-22-19(29)15-16(28)20(30)27(2)17(24-15)12-5-6-31-9-12/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042008
PNG
(CHEMBL3360110)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1=CCOC1
Show InChI InChI=1S/C17H16FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-6,22H,7-9H2,1H3,(H,19,23)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50042009
PNG
(CHEMBL3360109)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)-c1ccco1
Show InChI InChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50403407
PNG
(CHEMBL17210)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H15FN4O2S/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(8-4-15)28(22,26)27/h1-12H,(H,24,25)(H2,22,26,27)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50230001
PNG
(4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50104352
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H15FN4/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(22)8-4-15/h1-12H,22H2,(H,24,25)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50403384
PNG
(CHEMBL17445)
Show SMILES NCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H17FN4/c22-18-7-5-15(6-8-18)19-20(16-9-11-24-12-10-16)26-21(25-19)17-3-1-14(13-23)2-4-17/h1-12H,13,23H2,(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50403376
PNG
(CHEMBL17389)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3OS/c1-27(26)18-7-5-15(6-8-18)21-24-19(14-9-11-23-12-10-14)20(25-21)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50403386
PNG
(CHEMBL417087)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H21FN4/c1-28(2)15-16-3-5-19(6-4-16)23-26-21(17-7-9-20(24)10-8-17)22(27-23)18-11-13-25-14-12-18/h3-14H,15H2,1-2H3,(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50104373
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H13FN4/c22-18-7-5-15(6-8-18)19-20(16-9-11-24-12-10-16)26-21(25-19)17-3-1-14(13-23)2-4-17/h1-12H,(H,25,26)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50403397
PNG
(CHEMBL17334)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(CNC=O)cc1
Show InChI InChI=1S/C22H17FN4O/c23-19-7-5-16(6-8-19)20-21(17-9-11-24-12-10-17)27-22(26-20)18-3-1-15(2-4-18)13-25-14-28/h1-12,14H,13H2,(H,25,28)(H,26,27)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50284507
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES ONC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(27)26-28/h1-12,28H,(H,24,25)(H,26,27)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
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