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Compile Data Set for Download or QSAR

Found 394 hits with Last Name = 'matteo' 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
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM13211
PNG
((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1
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 25 -43.1 460n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...

Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM13212
PNG
((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1
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 61 -40.9 530n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...

Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592391
PNG
(CHEMBL5187766)
Show SMILES COc1cc2c(NCCN)ccnc2cc1OCCCN1CCCC1
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n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615001
PNG
(CHEMBL5267582)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592384
PNG
(CHEMBL5195846)
Show SMILES COc1cc2c(N)ccnc2cc1OCCCN1CCCC1
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614997
PNG
(CHEMBL5281311)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615002
PNG
(CHEMBL5282278)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50546219
PNG
(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615005
PNG
(CHEMBL5291336)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615009
PNG
(CHEMBL5271919)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615013
PNG
(CHEMBL5268577)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cnsn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615015
PNG
(CHEMBL5289856)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nccs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 4n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614995
PNG
(CHEMBL5270277)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615004
PNG
(CHEMBL5275370)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615006
PNG
(CHEMBL5290261)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615008
PNG
(CHEMBL5273026)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615016
PNG
(CHEMBL5272403)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(Cl)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592392
PNG
(CHEMBL5193402)
Show SMILES COc1cc2c(NCCNC(C)=O)ccnc2cc1OCCCN1CCCC1
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n/an/a 5.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592390
PNG
(CHEMBL5172085)
Show SMILES COc1cc2c(NCCC(N)=O)ccnc2cc1OCCCN1CCCC1
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n/an/a 5.70n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 5.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614996
PNG
(CHEMBL5290513)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615003
PNG
(CHEMBL5278658)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615014
PNG
(CHEMBL5270851)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1csc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171310
PNG
(CHEMBL3805814)
Show SMILES COc1ccc(cc1Br)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C16H20BrN3O3S/c1-23-16-5-4-14(9-15(16)17)24(21,22)20-7-2-3-13(11-20)10-19-8-6-18-12-19/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3
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n/an/a 6n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615011
PNG
(CHEMBL5278669)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccn(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171231
PNG
(CHEMBL3805851)
Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2nsnc2c1
Show InChI InChI=1S/C15H17N5O2S2/c21-24(22,13-3-4-14-15(8-13)18-23-17-14)20-6-1-2-12(10-20)9-19-7-5-16-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2
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n/an/a 7n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614994
PNG
(CHEMBL5275479)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614988
PNG
(CHEMBL5269824)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614992
PNG
(CHEMBL5290180)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615007
PNG
(CHEMBL5283063)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171227
PNG
(CHEMBL3806301)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C21H21ClN4O5S/c22-19-7-2-8-20(26(27)28)21(19)31-17-5-1-6-18(12-17)32(29,30)25-10-3-4-16(14-25)13-24-11-9-23-15-24/h1-2,5-9,11-12,15-16H,3-4,10,13-14H2
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n/an/a 9n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50345657
PNG
(CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...)
Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615012
PNG
(CHEMBL5275866)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nnc(C)s1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cyclooxygenase of human platelets was determined

J Med Chem 30: 726-9 (1987)


BindingDB Entry DOI: 10.7270/Q2Q81G93
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50615017
PNG
(CHEMBL5285837)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(cs1)C(F)(F)F)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50615002
PNG
(CHEMBL5282278)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171229
PNG
(CHEMBL3805211)
Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H21N3O4S/c21-25(22,15-3-4-16-17(10-15)24-9-8-23-16)20-6-1-2-14(12-20)11-19-7-5-18-13-19/h3-5,7,10,13-14H,1-2,6,8-9,11-12H2
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n/an/a 13n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171226
PNG
(CHEMBL3805173)
Show SMILES COc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C16H20FN3O3S/c1-23-16-5-4-14(9-15(16)17)24(21,22)20-7-2-3-13(11-20)10-19-8-6-18-12-19/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3
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n/an/a 14n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171228
PNG
(CHEMBL3805481)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C15H17ClFN3O2S/c16-14-8-13(3-4-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2
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n/an/a 14n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171390
PNG
(CHEMBL3805733)
Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1
Show InChI InChI=1S/C20H27N3O3S/c24-27(25,20-9-7-19(8-10-20)26-18-5-1-2-6-18)23-12-3-4-17(15-23)14-22-13-11-21-16-22/h7-11,13,16-18H,1-6,12,14-15H2
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n/an/a 14n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171345
PNG
(CHEMBL3805008)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)14-8-13(3-4-15(14)23(24)25)28(26,27)22-6-1-2-12(10-22)9-21-7-5-20-11-21/h3-5,7-8,11-12H,1-2,6,9-10H2
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n/an/a 16n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592390
PNG
(CHEMBL5172085)
Show SMILES COc1cc2c(NCCC(N)=O)ccnc2cc1OCCCN1CCCC1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50614987
PNG
(CHEMBL5271480)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50592395
PNG
(CHEMBL5183771)
Show SMILES COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CC2(CCN2)C1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128858
BindingDB Entry DOI: 10.7270/Q2RX9H28
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171348
PNG
(CHEMBL3806075)
Show SMILES COc1c(C)cc(cc1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C18H25N3O3S/c1-14-9-17(10-15(2)18(14)24-3)25(22,23)21-7-4-5-16(12-21)11-20-8-6-19-13-20/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171350
PNG
(CHEMBL3805539)
Show SMILES Fc1cc(ccc1OC1CCCC1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C20H26FN3O3S/c21-19-12-18(7-8-20(19)27-17-5-1-2-6-17)28(25,26)24-10-3-4-16(14-24)13-23-11-9-22-15-23/h7-9,11-12,15-17H,1-6,10,13-14H2
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n/an/a 22n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50615001
PNG
(CHEMBL5267582)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50171208
PNG
(CHEMBL3805310)
Show SMILES Cc1cc(ccc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C16H20FN3O2S/c1-13-9-15(4-5-16(13)17)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3
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University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair
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