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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'kumar' and Initial = 'ss'   
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
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034013
PNG
((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034009
PNG
((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-3-10-11-5-15(19(23)24)25-7-16(11)26-18-12(10)8-27-17(18)6-14-13(20(27)28)9-31-21(29)22(14,30)4-2/h5-7,30H,3-4,8-9H2,1-2H3,(H3,23,24)/t22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034018
PNG
((S)-4,11-Diethyl-4,N-dihydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=N)NO
Show InChI InChI=1S/C22H21N5O5/c1-3-10-11-5-15(19(23)26-31)24-7-16(11)25-18-12(10)8-27-17(18)6-14-13(20(27)28)9-32-21(29)22(14,30)4-2/h5-7,30-31H,3-4,8-9H2,1-2H3,(H2,23,26)/t22-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034019
PNG
((S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12
Show InChI InChI=1S/C21H18BrN3O4/c1-3-10-11-5-17(22)23-7-15(11)24-18-12(10)8-25-16(18)6-14-13(19(25)26)9-29-20(27)21(14,28)4-2/h5-7,28H,3-4,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034014
PNG
((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N
Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034015
PNG
((S)-9-Aminomethyl-4,11-diethyl-4-hydroxy-1,12-dihy...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(CN)cc12
Show InChI InChI=1S/C22H22N4O4/c1-3-12-13-5-11(7-23)24-8-17(13)25-19-14(12)9-26-18(19)6-16-15(20(26)27)10-30-21(28)22(16,29)4-2/h5-6,8,29H,3-4,7,9-10,23H2,1-2H3/t22-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034020
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-8-ox...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O5/c1-3-21(28)15-5-17-18-13(7-24(17)19(26)14(15)9-30-20(21)27)10(2)12-4-11(6-22)25(29)8-16(12)23-18/h4-5,8,28H,3,6-7,9,22H2,1-2H3/t21-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034024
PNG
(((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-8-oxy-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C26H28N4O7/c1-6-26(34)18-8-20-21-16(10-29(20)22(31)17(18)12-36-23(26)32)13(2)15-7-14(30(35)11-19(15)28-21)9-27-24(33)37-25(3,4)5/h7-8,11,34H,6,9-10,12H2,1-5H3,(H,27,33)/t26-/m0/s1
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n/an/a 217n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034010
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-1,12...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,6,8-9,22H2,1-2H3/t21-/m0/s1
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n/an/a 232n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034016
PNG
((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C#N
Show InChI InChI=1S/C22H18N4O4/c1-3-12-13-5-11(7-23)24-8-17(13)25-19-14(12)9-26-18(19)6-16-15(20(26)27)10-30-21(28)22(16,29)4-2/h5-6,8,29H,3-4,9-10H2,1-2H3/t22-/m0/s1
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n/an/a 268n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034011
PNG
((S)-4,11-Diethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnccc12
Show InChI InChI=1S/C21H19N3O4/c1-3-11-12-5-6-22-8-16(12)23-18-13(11)9-24-17(18)7-15-14(19(24)25)10-28-20(26)21(15,27)4-2/h5-8,27H,3-4,9-10H2,1-2H3/t21-/m0/s1
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n/an/a 336n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034030
PNG
((S)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,8,12...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnccc4cc3Cn1c2=O
Show InChI InChI=1S/C19H15N3O4/c1-2-19(25)13-6-15-16-11(5-10-3-4-20-7-14(10)21-16)8-22(15)17(23)12(13)9-26-18(19)24/h3-7,25H,2,8-9H2,1H3/t19-/m0/s1
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n/an/a 383n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50034012
PNG
((S)-9-(3-Amino-prop-1-ynyl)-4-ethyl-4-hydroxy-11-m...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#CCN
Show InChI InChI=1S/C23H20N4O4/c1-3-23(30)17-8-19-20-15(10-27(19)21(28)16(17)11-31-22(23)29)12(2)14-7-13(5-4-6-24)25-9-18(14)26-20/h7-9,30H,3,6,10-11,24H2,1-2H3/t23-/m0/s1
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n/an/a 505n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615196
PNG
(3-[2-(4-cyanophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-h...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615197
PNG
(US20230271945, Compound 117)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(OC(F)F)cc1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615198
PNG
(US20230271945, Compound 118)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(OC(F)(F)F)cc1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615198
PNG
(US20230271945, Compound 118)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(OC(F)(F)F)cc1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615200
PNG
(US20230271945, Compound 120)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)c(F)c1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615200
PNG
(US20230271945, Compound 120)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)c(F)c1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM50547880
PNG
(CHEMBL4789274 | US20230271945, Compound 121)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM50547880
PNG
(CHEMBL4789274 | US20230271945, Compound 121)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615202
PNG
(US20230271945, Compound 122)
Show SMILES Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H]2[C@H](O)CNC2=O)c(F)c1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615202
PNG
(US20230271945, Compound 122)
Show SMILES Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H]2[C@H](O)CNC2=O)c(F)c1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615203
PNG
(US20230271945, Compound 123)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615203
PNG
(US20230271945, Compound 123)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615204
PNG
(US20230271945, Compound 124)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615204
PNG
(US20230271945, Compound 124)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615205
PNG
(US20230271945, Compound 125)
Show SMILES Cc1cc(ccc1F)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615205
PNG
(US20230271945, Compound 125)
Show SMILES Cc1cc(ccc1F)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615206
PNG
(US20230271945, Compound 126)
Show SMILES Cc1ccc(cc1F)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615206
PNG
(US20230271945, Compound 126)
Show SMILES Cc1ccc(cc1F)-c1[nH]c2ccccc2c1CCC(=O)N[C@H]1[C@H](O)CNC1=O |r|
PDB

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Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615208
PNG
(3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1 |r|
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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615208
PNG
(3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1 |r|
PDB

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Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615209
PNG
(3-[2-(3,4-difluorophenyl)-1H-indol-3-yl]-N-[(3S,4R...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(F)c(F)c1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615209
PNG
(3-[2-(3,4-difluorophenyl)-1H-indol-3-yl]-N-[(3S,4R...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccccc12)-c1ccc(F)c(F)c1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615210
PNG
(2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]-N-[...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CSc1c([nH]c2ccccc12)-c1ccc(F)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615124
PNG
(3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]-N-[(3...)
Show SMILES Cc1ccc2[nH]c(c(CCC(=O)N[C@H]3CCNC3=O)c2c1)-c1ccc(Br)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615124
PNG
(3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]-N-[(3...)
Show SMILES Cc1ccc2[nH]c(c(CCC(=O)N[C@H]3CCNC3=O)c2c1)-c1ccc(Br)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615125
PNG
(3-(5-chloro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-h...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccccc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615125
PNG
(3-(5-chloro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-h...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccccc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615126
PNG
(3-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(...)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615127
PNG
(US20230271945, Compound 46)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615127
PNG
(US20230271945, Compound 46)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615128
PNG
(US20230271945, Compound 47)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(F)cc2c1CCC(=O)N[C@H]1CCNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615128
PNG
(US20230271945, Compound 47)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(F)cc2c1CCC(=O)N[C@H]1CCNC1=O |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615129
PNG
(US20230271945, Compound 48)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(F)cc2c1CCC(=O)NC1CCNC1=O |w:21.24|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615129
PNG
(US20230271945, Compound 48)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(F)cc2c1CCC(=O)NC1CCNC1=O |w:21.24|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615132
PNG
(US20230271945, Compound 51)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(F)cc12)-c1ccccc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615132
PNG
(US20230271945, Compound 51)
Show SMILES O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c([nH]c2ccc(F)cc12)-c1ccccc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
Apolipoprotein L1


(Homo sapiens)
BDBM615133
PNG
(US20230271945, Compound 52)
Show SMILES Fc1ccc2[nH]c(c(CCC(=O)N[C@H]3CCNC3=O)c2c1)-c1ccccc1 |r|
PDB

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n/an/a 600n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US9725441 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2MXG
More data for this
Ligand-Target Pair
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