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Compile Data Set for Download or QSAR

Found 271 hits from Bristol-Myers Squibb   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Presenilin-1


(Homo sapiens (Human))
BDBM50477923
PNG
(CHEMBL437977)
Show SMILES C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H24Cl2N2O5S2/c1-14(4-3-11-22-29(2,25)26)23(19-12-17(21)6-5-15(19)13-24)30(27,28)18-9-7-16(20)8-10-18/h5-10,12,14,22,24H,3-4,11,13H2,1-2H3/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM29012
PNG
(N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...)
Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/s2
PDB
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UniProtKB/SwissProt
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B.MOAD
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.320n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM29013
PNG
(4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...)
Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/s2
PDB
MMDB

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.510n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477936
PNG
(CHEMBL252052)
Show SMILES C[C@H](CCCn1nnnc1N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-21(27(2)3)24-25-26-28)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
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n/an/a 0.530n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477922
PNG
(CHEMBL252051)
Show SMILES C[C@H](CCCn1nnnc1C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-15(2)23-24-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1
PDB
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B.MOAD
GoogleScholar
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n/an/a 0.75n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477915
PNG
(CHEMBL252846)
Show SMILES C[C@H](CCCn1ccnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-11-25-12-10-23-24-25)26(20-13-18(22)5-4-16(20)14-27)30(28,29)19-8-6-17(21)7-9-19/h4-10,12-13,15,27H,2-3,11,14H2,1H3/t15-/m1/s1
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287622
PNG
(CHEMBL4160876)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1
PDB

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PDB
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PDB
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287594
PNG
(ASUNAPREVIR | Asunaprevir | BMS 650032 | BMS-65003...)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
PDB

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PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Presenilin-1


(Homo sapiens (Human))
BDBM50477917
PNG
(CHEMBL253295)
Show SMILES C[C@H](CCCN1CCCS1(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N2O5S2/c1-16(4-2-11-24-12-3-13-31(24,27)28)25(21-14-19(23)6-5-17(21)15-26)32(29,30)20-9-7-18(22)8-10-20/h5-10,14,16,26H,2-4,11-13,15H2,1H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477945
PNG
(CHEMBL429838)
Show SMILES C[C@H](CCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-23-13-22-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477932
PNG
(CHEMBL253091)
Show SMILES C[C@H](CCCNC(=O)[C@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25-/m1/s1
PDB
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B.MOAD
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477939
PNG
(CHEMBL253092)
Show SMILES C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25+/m1/s1
PDB
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477933
PNG
(CHEMBL253041)
Show SMILES C[C@H](CCCN1CCOCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28Cl2N2O4S/c1-17(3-2-10-25-11-13-30-14-12-25)26(22-15-20(24)5-4-18(22)16-27)31(28,29)21-8-6-19(23)7-9-21/h4-9,15,17,27H,2-3,10-14,16H2,1H3/t17-/m1/s1
PDB
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM205027
PNG
(US9249096, 40)
Show SMILES OC1=C(CN(Cc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-9-8-14(11-18(17)23)7-4-10-24-20(27)16-13-25(21(28)19(16)26)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,26H,4,7,10,12-13H2,(H,24,27)
KEGG

UniProtKB/SwissProt
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GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477943
PNG
(CHEMBL437405)
Show SMILES C[C@H](CCCn1cncn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-10-25-14-23-13-24-25)26(20-11-18(22)5-4-16(20)12-27)30(28,29)19-8-6-17(21)7-9-19/h4-9,11,13-15,27H,2-3,10,12H2,1H3/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287595
PNG
(CHEMBL3921126)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ncc(OC)c2ccc(Cl)cc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C35H48ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h10,13-14,17,19,21-22,25,27H,9,11-12,15-16,18H2,1-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
PDB

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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476940
PNG
(CHEMBL233362)
Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1
PDB
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B.MOAD
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477929
PNG
(CHEMBL253283)
Show SMILES C[C@H](CCCNC=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H22Cl2N2O4S/c1-14(3-2-10-22-13-25)23(19-11-17(21)5-4-15(19)12-24)28(26,27)18-8-6-16(20)7-9-18/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,22,25)/t14-/m1/s1
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477925
PNG
(CHEMBL251856)
Show SMILES C[C@H](CCCn1nnc(n1)N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-25-21(24-26-28)27(2)3)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287648
PNG
(CHEMBL3895075)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C36H48ClN5O9S/c1-34(2,3)28(39-33(46)51-35(4,5)6)31(44)42-18-21(50-30-24-14-20(37)10-13-23(24)27(49-7)17-38-30)15-26(42)29(43)40-36(16-25(36)19-8-9-19)32(45)41-52(47,48)22-11-12-22/h10,13-14,17,19,21-22,25-26,28H,8-9,11-12,15-16,18H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t21-,25+,26+,28-,36-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477921
PNG
(CHEMBL404294)
Show SMILES C[C@H](CCCn1nnc(C)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-24-15(2)23-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477937
PNG
(CHEMBL253727)
Show SMILES C[C@H](CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26Cl2N2O3S/c1-15(5-4-12-23(2)3)24(20-13-18(22)7-6-16(20)14-25)28(26,27)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477940
PNG
(CHEMBL252305)
Show SMILES COCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N2O5S/c1-15(4-3-11-24-21(27)14-30-2)25(20-12-18(23)6-5-16(20)13-26)31(28,29)19-9-7-17(22)8-10-19/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3,(H,24,27)/t15-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477942
PNG
(CHEMBL252303)
Show SMILES C[C@H](CCCNC(C)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O4S/c1-14(4-3-11-23-15(2)26)24(20-12-18(22)6-5-16(20)13-25)29(27,28)19-9-7-17(21)8-10-19/h5-10,12,14,25H,3-4,11,13H2,1-2H3,(H,23,26)/t14-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477912
PNG
(CHEMBL253296)
Show SMILES C[C@H](CCCNS(=O)(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N2O5S2/c1-18(6-5-15-27-34(30,31)22-7-3-2-4-8-22)28(24-16-21(26)10-9-19(24)17-29)35(32,33)23-13-11-20(25)12-14-23/h2-4,7-14,16,18,27,29H,5-6,15,17H2,1H3/t18-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477927
PNG
(CHEMBL252304)
Show SMILES C[C@H](CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-14(3-2-10-23-20(27)13-26)24(19-11-17(22)5-4-15(19)12-25)30(28,29)18-8-6-16(21)7-9-18/h4-9,11,14,25-26H,2-3,10,12-13H2,1H3,(H,23,27)/t14-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458637
PNG
(CHEMBL4210998)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O
Show InChI InChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477918
PNG
(CHEMBL403739)
Show SMILES C[C@H](CCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O3S/c1-16(3-2-11-25-12-10-24-15-25)26(21-13-19(23)5-4-17(21)14-27)30(28,29)20-8-6-18(22)7-9-20/h4-10,12-13,15-16,27H,2-3,11,14H2,1H3/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287621
PNG
(CHEMBL4171493)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@]2(C[C@@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22-,23+,25-,34+/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477916
PNG
(CHEMBL252645)
Show SMILES C[C@H](CCCn1nccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-12-25-23-10-11-24-25)26(20-13-18(22)5-4-16(20)14-27)30(28,29)19-8-6-17(21)7-9-19/h4-11,13,15,27H,2-3,12,14H2,1H3/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477941
PNG
(CHEMBL403841)
Show SMILES CCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N2O4S/c1-3-21(27)24-12-4-5-15(2)25(20-13-18(23)7-6-16(20)14-26)30(28,29)19-10-8-17(22)9-11-19/h6-11,13,15,26H,3-5,12,14H2,1-2H3,(H,24,27)/t15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287586
PNG
(CHEMBL4176000)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C34H46ClN5O9S/c1-18-15-34(18,30(43)39-50(45,46)21-10-11-21)38-27(41)24-14-20(48-28-23-13-19(35)9-12-22(23)25(47-8)16-36-28)17-40(24)29(42)26(32(2,3)4)37-31(44)49-33(5,6)7/h9,12-13,16,18,20-21,24,26H,10-11,14-15,17H2,1-8H3,(H,37,44)(H,38,41)(H,39,43)/t18-,20-,24+,26-,34-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477914
PNG
(CHEMBL252694)
Show SMILES CC(C)C(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28Cl2N2O4S/c1-15(2)22(28)25-12-4-5-16(3)26(21-13-19(24)7-6-17(21)14-27)31(29,30)20-10-8-18(23)9-11-20/h6-11,13,15-16,27H,4-5,12,14H2,1-3H3,(H,25,28)/t16-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287588
PNG
(CHEMBL4177477)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C35H46ClF2N5O9S/c1-33(2,3)27(40-32(47)52-34(4,5)6)30(45)43-17-20(51-29-23-13-19(36)8-11-22(23)25(50-7)16-39-29)14-24(43)28(44)41-35(15-18(35)12-26(37)38)31(46)42-53(48,49)21-9-10-21/h8,11,13,16,18,20-21,24,26-27H,9-10,12,14-15,17H2,1-7H3,(H,40,47)(H,41,44)(H,42,46)/t18-,20-,24+,27-,35-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477924
PNG
(CHEMBL428941)
Show SMILES C[C@H](CCCNC(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26Cl2N2O4S/c1-18(6-5-15-28-25(31)19-7-3-2-4-8-19)29(24-16-22(27)10-9-20(24)17-30)34(32,33)23-13-11-21(26)12-14-23/h2-4,7-14,16,18,30H,5-6,15,17H2,1H3,(H,28,31)/t18-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477920
PNG
(CHEMBL404295)
Show SMILES C[C@H](CCCn1nnnc1-c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25Cl2N5O3S/c1-18(6-5-15-31-25(28-29-30-31)19-7-3-2-4-8-19)32(24-16-22(27)10-9-20(24)17-33)36(34,35)23-13-11-21(26)12-14-23/h2-4,7-14,16,18,33H,5-6,15,17H2,1H3/t18-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50458647
PNG
(CHEMBL4212095)
Show SMILES Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate a...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287685
PNG
(CHEMBL4168149)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C(F)(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C34H43ClF3N5O9S/c1-31(2,3)25(40-30(47)52-32(4,5)6)28(45)43-16-18(51-27-21-12-17(35)8-11-20(21)23(50-7)15-39-27)13-22(43)26(44)41-33(14-24(33)34(36,37)38)29(46)42-53(48,49)19-9-10-19/h8,11-12,15,18-19,22,24-25H,9-10,13-14,16H2,1-7H3,(H,40,47)(H,41,44)(H,42,46)/t18-,22+,24-,25-,33-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477946
PNG
(CHEMBL252644)
Show SMILES C[C@H](CCCn1cccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O3S/c1-16(4-2-12-25-13-3-11-24-25)26(21-14-19(23)6-5-17(21)15-27)30(28,29)20-9-7-18(22)8-10-20/h3,5-11,13-14,16,27H,2,4,12,15H2,1H3/t16-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458645
PNG
(CHEMBL4215063)
Show SMILES OC1=C(CN(CCCN2CCCC2=O)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O4/c22-16-7-6-14(12-17(16)23)4-1-8-24-20(29)15-13-26(21(30)19(15)28)11-3-10-25-9-2-5-18(25)27/h6-7,12,28H,1-5,8-11,13H2,(H,24,29)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458642
PNG
(CHEMBL4218352)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCOC(C)C)C1=O
Show InChI InChI=1S/C21H29Cl2N3O3/c1-4-26-13-16(19(21(26)28)24-10-11-29-14(2)3)20(27)25-9-5-6-15-7-8-17(22)18(23)12-15/h7-8,12,14,24H,4-6,9-11,13H2,1-3H3,(H,25,27)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458636
PNG
(CHEMBL4206624)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCCN2CCCCC2)C1=O
Show InChI InChI=1S/C24H34Cl2N4O2/c1-2-30-17-19(22(24(30)32)27-12-7-15-29-13-4-3-5-14-29)23(31)28-11-6-8-18-9-10-20(25)21(26)16-18/h9-10,16,27H,2-8,11-15,17H2,1H3,(H,28,31)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477938
PNG
(CHEMBL252894)
Show SMILES C[C@H](CCCNC(=O)Cc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28Cl2N2O4S/c1-19(6-5-15-29-26(32)16-20-7-3-2-4-8-20)30(25-17-23(28)10-9-21(25)18-31)35(33,34)24-13-11-22(27)12-14-24/h2-4,7-14,17,19,31H,5-6,15-16,18H2,1H3,(H,29,32)/t19-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477944
PNG
(CHEMBL252840)
Show SMILES C[C@H](CCCNC1CCCO1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28Cl2N2O4S/c1-16(4-2-12-25-22-5-3-13-30-22)26(21-14-19(24)7-6-17(21)15-27)31(28,29)20-10-8-18(23)9-11-20/h6-11,14,16,22,25,27H,2-5,12-13,15H2,1H3/t16-,22?/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477926
PNG
(CHEMBL253042)
Show SMILES C[C@H](CCCN1CCN(C)CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31Cl2N3O3S/c1-18(4-3-11-27-14-12-26(2)13-15-27)28(23-16-21(25)6-5-19(23)17-29)32(30,31)22-9-7-20(24)8-10-22/h5-10,16,18,29H,3-4,11-15,17H2,1-2H3/t18-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458644
PNG
(CHEMBL4214459)
Show SMILES CN1C(CC(C)(C)C)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
Show InChI InChI=1S/C20H26Cl2N2O3/c1-20(2,3)11-15-16(17(25)19(27)24(15)4)18(26)23-9-5-6-12-7-8-13(21)14(22)10-12/h7-8,10,15,25H,5-6,9,11H2,1-4H3,(H,23,26)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458646
PNG
(CHEMBL4207746)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
Show InChI InChI=1S/C16H18Cl2N2O3/c1-2-20-9-11(14(21)16(20)23)15(22)19-7-3-4-10-5-6-12(17)13(18)8-10/h5-6,8,21H,2-4,7,9H2,1H3,(H,19,22)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477935
PNG
(CHEMBL401708)
Show SMILES C[C@H](CCCNc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N2O3S/c1-18(6-5-15-27-22-7-3-2-4-8-22)28(24-16-21(26)10-9-19(24)17-29)32(30,31)23-13-11-20(25)12-14-23/h2-4,7-14,16,18,27,29H,5-6,15,17H2,1H3/t18-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50287587
PNG
(CHEMBL4159744)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC2(CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C33H44ClN5O9S/c1-31(2,3)25(36-30(43)48-32(4,5)6)28(41)39-17-19(47-27-22-14-18(34)8-11-21(22)24(46-7)16-35-27)15-23(39)26(40)37-33(12-13-33)29(42)38-49(44,45)20-9-10-20/h8,11,14,16,19-20,23,25H,9-10,12-13,15,17H2,1-7H3,(H,36,43)(H,37,40)(H,38,42)/t19-,23+,25-/m1/s1
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PubMed
n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...


ACS Med Chem Lett 9: 143-148 (2018)

More data for this
Ligand-Target Pair
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