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Compile Data Set for Download or QSAR

Found 2122 hits with Last Name = 'sabat' and Initial = 'm'   
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 polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |r,t:16|
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 mg...


J Nat Prod 63: 1356-60 (2000)


BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |r,t:16|
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 m...


J Nat Prod 63: 1356-60 (2000)


BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |r,t:16|
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA


J Nat Prod 63: 1356-60 (2000)


BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |r,t:16|
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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8.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA


J Nat Prod 63: 1356-60 (2000)


BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m0/s1
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TBA

Assay Description
Inhibition of human Jak3


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01026
BindingDB Entry DOI: 10.7270/Q2JM2FHN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m0/s1
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TBA

Assay Description
Inhibition of human EGFR


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01026
BindingDB Entry DOI: 10.7270/Q2JM2FHN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m0/s1
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TBA

Assay Description
Inhibition of human ITK


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01026
BindingDB Entry DOI: 10.7270/Q2JM2FHN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0160n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50593468
PNG
(CHEMBL5199803)
Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)C(=O)CNc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12 |c:14|
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n/an/a 0.190n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450687
PNG
(CHEMBL4164818)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(Cl)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236931
PNG
(US9388189, 27)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450679
PNG
(CHEMBL4164652)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnn(C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H23N9O/c1-15-9-10-33-21(15)25(35)34(18-7-5-4-6-8-18)24(31-33)16(2)30-23-20-19(17-11-29-32(3)13-17)12-26-22(20)27-14-28-23/h4-14,16H,1-3H3,(H2,26,27,28,30)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450680
PNG
(CHEMBL4168702)
Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r|
Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450675
PNG
(CHEMBL4166977)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450693
PNG
(CHEMBL4164842)
Show SMILES COc1cccc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1O |r|
Show InChI InChI=1S/C28H25N7O3/c1-16-12-13-34-23(16)28(37)35(18-8-5-4-6-9-18)27(33-34)17(2)32-26-22-20(14-29-25(22)30-15-31-26)19-10-7-11-21(38-3)24(19)36/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236932
PNG
(US9388189, 28)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H22F3N7O2/c1-14-8-9-35-21(14)25(38)36(18-6-4-3-5-7-18)24(34-35)15(2)33-23-20(22(30)31-13-32-23)16-10-17(26(27,28)29)12-19(37)11-16/h3-13,15,37H,1-2H3,(H3,30,31,32,33)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50593464
PNG
(CHEMBL5184399)
Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human mTOR complex 1 after 30 mins by FRET assay


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450681
PNG
(CHEMBL4171428)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N8O3S/c1-17-12-13-35-24(17)28(37)36(21-10-5-4-6-11-21)27(33-35)18(2)32-26-23-22(15-29-25(23)30-16-31-26)19-8-7-9-20(14-19)34-40(3,38)39/h4-16,18,34H,1-3H3,(H2,29,30,31,32)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50450680
PNG
(CHEMBL4168702)
Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r|
Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450674
PNG
(CHEMBL4163332)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(ccc3O)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H22F3N7O2/c1-15-10-11-37-23(15)27(40)38(18-6-4-3-5-7-18)26(36-37)16(2)35-25-22-20(13-32-24(22)33-14-34-25)19-12-17(28(29,30)31)8-9-21(19)39/h3-14,16,39H,1-2H3,(H2,32,33,34,35)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450691
PNG
(CHEMBL4168514)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H26N8O3S/c1-16-12-13-33-22(16)26(35)34(20-10-5-4-6-11-20)25(31-33)17(2)30-24-21(23(27)28-15-29-24)18-8-7-9-19(14-18)32-38(3,36)37/h4-15,17,32H,1-3H3,(H3,27,28,29,30)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50593462
PNG
(CHEMBL5178058)
Show SMILES CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50593471
PNG
(CHEMBL5195371)
Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50474810
PNG
(CHEMBL92082)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1
Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC)


J Med Chem 47: 2724-7 (2004)


Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450695
PNG
(CHEMBL4176898)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450685
PNG
(CHEMBL4160167)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cn[nH]c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N9O/c1-14-8-9-32-20(14)24(34)33(17-6-4-3-5-7-17)23(31-32)15(2)30-22-19-18(16-10-28-29-11-16)12-25-21(19)26-13-27-22/h3-13,15H,1-2H3,(H,28,29)(H2,25,26,27,30)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450682
PNG
(CHEMBL4167561)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H27N9O3S/c1-17-10-12-38-26(17)30(40)39(20-7-5-4-6-8-20)29(36-38)18(2)35-28-25-23(15-32-27(25)33-16-34-28)22-13-19(37-43(3,41)42)14-24-21(22)9-11-31-24/h4-16,18,31,37H,1-3H3,(H2,32,33,34,35)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450697
PNG
(CHEMBL4176794)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22FN7O2/c1-14-10-11-32-21(14)25(35)33(17-6-4-3-5-7-17)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-8-9-19(34)18(26)12-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50328605
PNG
(1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazi...)
Show SMILES CN1CCN(CC(=O)N2CCN(CC2)c2ccc(cc2C(F)(F)F)-n2c3c(ccc2=O)cnc2ccc(cc32)-c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C39H36F3N7O2/c1-45-12-14-46(15-13-45)25-37(51)48-18-16-47(17-19-48)35-10-8-30(22-32(35)39(40,41)42)49-36(50)11-7-28-23-44-34-9-6-26(21-31(34)38(28)49)29-20-27-4-2-3-5-33(27)43-24-29/h2-11,20-24H,12-19,25H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human mTOR complex 1 after 30 mins by FRET assay


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM236931
PNG
(US9388189, 27)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450689
PNG
(CHEMBL4161674)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22FN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450690
PNG
(CHEMBL4175709)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H26N8O4S/c1-15-9-10-33-22(15)26(36)34(19-7-5-4-6-8-19)25(31-33)16(2)30-24-21(23(27)28-14-29-24)17-11-18(13-20(35)12-17)32-39(3,37)38/h4-14,16,32,35H,1-3H3,(H3,27,28,29,30)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50593476
PNG
(CHEMBL5191405)
Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
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