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22 similar compounds to monomer 50069756

Compile data set for download or QSAR
Wt: 380.4
BDBM50180618
Wt: 412.5
BDBM50069760
Wt: 435.9
BDBM50069766
Wt: 266.6
BDBM50069768
Wt: 598.5
BDBM50069769
Wt: 653.1
BDBM50069750
Wt: 312.4
BDBM50069752
Purchase
Wt: 298.4
BDBM50069753
Purchase
Wt: 312.4
BDBM50069755
Purchase
Wt: 420.5
BDBM50069758
Wt: 312.4
BDBM50069754
Purchase
Wt: 271.2
BDBM50069761
Purchase
Wt: 384.4
BDBM50069762
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Wt: 320.3
BDBM50180613
Wt: 296.3
BDBM50180616
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50180618,50069760,50069766,50069768,50069769,50069750,50069752,50069753,50069755,50069758,50069754,50069761,50069762,50180613,50180616   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50069761
PNG
(CHEMBL2391504)
Show SMILES Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Mus musculus)
BDBM50069750
PNG
(CHEMBL2357128)
Show SMILES C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
Show InChI InChI=1S/C33H37ClN4O6S/c1-21-17-38(22(2)20-39)33(41)28-16-25(35-32(40)15-23-18-36(3)29-8-6-5-7-27(23)29)11-14-30(28)44-31(21)19-37(4)45(42,43)26-12-9-24(34)10-13-26/h5-14,16,18,21-22,31,39H,15,17,19-20H2,1-4H3,(H,35,40)/t21-,22-,31+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of mouse SR-B1 overexpressed in CHO cells assessed as inhibition of transfer of the fluorescent lipid DiI from HDL particles to cells afte...


Bioorg Med Chem Lett 25: 2100-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.073
BindingDB Entry DOI: 10.7270/Q2P84DKP
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069752
PNG
(CHEMBL3407539)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=C(CO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069753
PNG
(CHEMBL3407538)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,18-,19+,20-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069754
PNG
(CHEMBL3407537)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-10-8-11-12-4-5-16(22)19(12,2)7-6-13(11)20(3)14(10)9-15(21)17-18(20)23-17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13-,17-,18-,19-,20+/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069755
PNG
(CHEMBL3407536)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@]4(CO4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069752
PNG
(CHEMBL3407539)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=C(CO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069753
PNG
(CHEMBL3407538)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,18-,19+,20-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069754
PNG
(CHEMBL3407537)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-10-8-11-12-4-5-16(22)19(12,2)7-6-13(11)20(3)14(10)9-15(21)17-18(20)23-17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13-,17-,18-,19-,20+/m0/s1
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n/an/a 810n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50069755
PNG
(CHEMBL3407536)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@]4(CO4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting


Eur J Med Chem 87: 336-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.074
BindingDB Entry DOI: 10.7270/Q2JH3NWD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50069758
PNG
(CHEMBL3407543)
Show SMILES CCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(=O)c2cn[nH]c2)c(C)c1
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n/an/a 50n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 assessed as malonyl CoA formation by NADH-linked kinetic method


J Med Chem 58: 525-36 (2015)


Article DOI: 10.1021/jm500695e
BindingDB Entry DOI: 10.7270/Q2DR2X6J
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50069760
PNG
(CHEMBL3407541)
Show SMILES CCCOc1ccc(C2CCN(CC2)c2ccc(cc2F)C(C)NC(C)=O)c(C)c1
Show InChI InChI=1S/C25H33FN2O2/c1-5-14-30-22-7-8-23(17(2)15-22)20-10-12-28(13-11-20)25-9-6-21(16-24(25)26)18(3)27-19(4)29/h6-9,15-16,18,20H,5,10-14H2,1-4H3,(H,27,29)
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n/an/a 60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 assessed as malonyl CoA formation by NADH-linked kinetic method


J Med Chem 58: 525-36 (2015)


Article DOI: 10.1021/jm500695e
BindingDB Entry DOI: 10.7270/Q2DR2X6J
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 13


(Homo sapiens (Human))
BDBM50069761
PNG
(CHEMBL2391504)
Show SMILES Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP13 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 10


(Homo sapiens (Human))
BDBM50069761
PNG
(CHEMBL2391504)
Show SMILES Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP10 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) by Ub-Rho110 assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50069766
PNG
(CHEMBL3407550)
Show SMILES CCN(CCCNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-22-24(17-20)29-23-12-7-6-11-21(23)25(22)27/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human USP7 by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50069768
PNG
(CHEMBL3407548)
Show SMILES Clc1ccc2C(=O)c3nc(C#N)c(nc3-c2c1)C#N
Show InChI InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
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n/an/a 420n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) by Ub-AMC assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069769
PNG
(CHEMBL3407555)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-23(17-8-9-17)33-26(18-10-12-19(30)13-11-18)21(20-6-5-7-22(31)25(20)32)14-29(4,27(33)36)15-24(34)35/h5-7,10-13,17,21,23,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,23-,26-,29-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069769
PNG
(CHEMBL3407555)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-23(17-8-9-17)33-26(18-10-12-19(30)13-11-18)21(20-6-5-7-22(31)25(20)32)14-29(4,27(33)36)15-24(34)35/h5-7,10-13,17,21,23,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,23-,26-,29-/m1/s1
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n/an/a<0.100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180613
PNG
(CHEMBL3601632)
Show SMILES COc1cccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)c1
Show InChI InChI=1S/C21H20O3/c1-24-18-11-5-7-15(14-18)13-17-10-6-12-19(21(17)23)20(22)16-8-3-2-4-9-16/h2-5,7-9,11,13-14,23H,6,10,12H2,1H3/b17-13+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180616
PNG
(CHEMBL3601747)
Show SMILES OC1=C(CCC\C1=C/c1cccs1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H16O2S/c19-17(13-6-2-1-3-7-13)16-10-4-8-14(18(16)20)12-15-9-5-11-21-15/h1-3,5-7,9,11-12,20H,4,8,10H2/b14-12+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180618
PNG
(CHEMBL3814765)
Show SMILES OC1=C(CCC\C1=C/c1cccc(Cc2ccccc2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H24O2/c28-26(23-13-5-2-6-14-23)25-16-8-15-24(27(25)29)19-22-12-7-11-21(18-22)17-20-9-3-1-4-10-20/h1-7,9-14,18-19,29H,8,15-17H2/b24-19+
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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US Patent
n/an/a 76n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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US Patent
n/an/a 17n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 100n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 190n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 in human H1299 cells assessed as reduction in colony formation after 7 days


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 76n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 120n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 140n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
Ubiquitin C-terminal Hydrolase L3 (UCH-L3)


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair