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Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'dash' and Initial = 'r'   
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 repair protein REV1


(Homo sapiens)
BDBM50463119
PNG
(CHEMBL4240676)
Show SMILES CC(C(C)=O)n1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C22H27ClN6O3/c1-14(15(2)30)29-18(24-20-19(29)21(31)26(4)22(32)25(20)3)13-27-8-10-28(11-9-27)17-7-5-6-16(23)12-17/h5-7,12,14H,8-11,13H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463115
PNG
(CHEMBL1717725)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O4S/c1-18-7-8-19(17-21(18)30(27,28)25-13-15-29-16-14-25)22(26)24-11-9-23(10-12-24)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3
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3.00E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of MET kinase by Dixon plot analysis


J Med Chem 52: 6543-5 (2009)


Article DOI: 10.1021/jm901330e
BindingDB Entry DOI: 10.7270/Q2M908RG
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463107
PNG
(CHEMBL4245882)
Show SMILES CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)
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3.60E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463120
PNG
(CHEMBL1721787)
Show SMILES CCc1ccc(NC(=O)CN2CCN(CC2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-3-17-4-6-18(7-5-17)22-21(25)16-23-12-14-24(15-13-23)19-8-10-20(26-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H,22,25)
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3.60E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463117
PNG
(CHEMBL4249624)
Show SMILES CC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(=O)NC1CC1
Show InChI InChI=1S/C21H29N3O3S/c1-12-3-6-16-17(11-12)28-21(18(16)20(27)22-15-4-5-15)23-19(26)14-7-9-24(10-8-14)13(2)25/h12,14-15H,3-11H2,1-2H3,(H,22,27)(H,23,26)
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4.60E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463116
PNG
(CHEMBL4237457)
Show SMILES CCS(=O)(=O)N(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H27N3O4S/c1-4-29(26,27)22(2)18-11-9-17(10-12-18)21(25)24-15-13-23(14-16-24)19-7-5-6-8-20(19)28-3/h5-12H,4,13-16H2,1-3H3
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4.70E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463122
PNG
(CHEMBL4249812)
Show SMILES COc1ccc(OC)c(c1)-c1csc(n1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H21N3O4S/c1-25-14-5-6-17(26-2)15(12-14)16-13-28-20(21-16)23-9-7-22(8-10-23)19(24)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3
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4.80E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463118
PNG
(CHEMBL4246571)
Show SMILES CCCCc1ccc(cc1)-n1nnc(C(=O)N(C)C2CCS(=O)(=O)C2)c1C
Show InChI InChI=1S/C19H26N4O3S/c1-4-5-6-15-7-9-16(10-8-15)23-14(2)18(20-21-23)19(24)22(3)17-11-12-27(25,26)13-17/h7-10,17H,4-6,11-13H2,1-3H3
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4.90E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463106
PNG
(CHEMBL4238011)
Show SMILES CCc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN3O/c1-2-16-3-7-18(8-4-16)22-20(25)15-23-11-13-24(14-12-23)19-9-5-17(21)6-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)
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6.90E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463105
PNG
(CHEMBL4244254)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C15H20N2O4S/c1-9-8-12(15(20)21-3)14(22-9)16-13(19)11-4-6-17(7-5-11)10(2)18/h8,11H,4-7H2,1-3H3,(H,16,19)
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7.40E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463108
PNG
(CHEMBL4244874)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N3CCC(CC3)C(C)=O)ccc12
Show InChI InChI=1S/C22H25N3O2/c1-3-25-20-7-5-4-6-18(20)19-14-17(8-9-21(19)25)23-22(27)24-12-10-16(11-13-24)15(2)26/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,27)
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8.90E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463113
PNG
(CHEMBL4238016)
Show SMILES CCCc1cc(C(=O)OCC)c(NC(=O)C2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C18H26N2O4S/c1-4-6-14-11-15(18(23)24-5-2)17(25-14)19-16(22)13-7-9-20(10-8-13)12(3)21/h11,13H,4-10H2,1-3H3,(H,19,22)
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1.16E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463114
PNG
(CHEMBL4241371)
Show SMILES CCCC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O
Show InChI InChI=1S/C20H29N3O3S/c1-3-4-13-5-6-15-16(11-13)27-20(17(15)18(21)25)22-19(26)14-7-9-23(10-8-14)12(2)24/h13-14H,3-11H2,1-2H3,(H2,21,25)(H,22,26)
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1.19E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463103
PNG
(CHEMBL4237396)
Show SMILES COc1cc2CCN(Cc3ccc(OCc4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C25H27NO3/c1-27-24-14-21-12-13-26(17-22(21)15-25(24)28-2)16-19-8-10-23(11-9-19)29-18-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16-18H2,1-2H3
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1.45E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463123
PNG
(CHEMBL4239688)
Show SMILES Cc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C
Show InChI InChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)24-12-10-23(11-13-24)14-20(25)22-18-8-6-17(21)7-9-18/h3-9H,10-14H2,1-2H3,(H,22,25)
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1.48E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463111
PNG
(CHEMBL4239342)
Show SMILES CC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O
Show InChI InChI=1S/C18H25N3O3S/c1-10-3-4-13-14(9-10)25-18(15(13)16(19)23)20-17(24)12-5-7-21(8-6-12)11(2)22/h10,12H,3-9H2,1-2H3,(H2,19,23)(H,20,24)
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1.57E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463109
PNG
(CHEMBL4241418)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2cccnc2)cc1Cl
Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,3)20(28)26-11-9-25(10-12-26)18-7-6-16(13-17(18)22)24-19(27)15-5-4-8-23-14-15/h4-8,13-14H,9-12H2,1-3H3,(H,24,27)
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1.90E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463112
PNG
(CHEMBL4249428)
Show SMILES CCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C16H22N2O4S/c1-4-12-9-13(16(21)22-3)15(23-12)17-14(20)11-5-7-18(8-6-11)10(2)19/h9,11H,4-8H2,1-3H3,(H,17,20)
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2.88E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463104
PNG
(CHEMBL4242335)
Show SMILES CC(=O)N1CCC(CC1)C(=O)Nc1sc2CCCCc2c1C(=O)NC1CC1
Show InChI InChI=1S/C20H27N3O3S/c1-12(24)23-10-8-13(9-11-23)18(25)22-20-17(19(26)21-14-6-7-14)15-4-2-3-5-16(15)27-20/h13-14H,2-11H2,1H3,(H,21,26)(H,22,25)
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3.15E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463110
PNG
(CHEMBL2136004)
Show SMILES Fc1ccc(cc1)N1CCN(CC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C18H20FN3O/c19-15-6-8-17(9-7-15)22-12-10-21(11-13-22)14-18(23)20-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)
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4.66E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273531
PNG
(CHEMBL460599 | N-Methyl,N-(3-phenylpropyl)-1H-indo...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H20N2O/c1-21(13-7-10-15-8-3-2-4-9-15)19(22)18-14-16-11-5-6-12-17(16)20-18/h2-6,8-9,11-12,14,20H,7,10,13H2,1H3
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9.20E+5n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273595
PNG
(CHEMBL462097 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,13,19H,11-12,14H2,1H3
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1.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15604
PNG
((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m1/s1
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1.70E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273486
PNG
(CHEMBL464597 | N-Methyl,N-phenyl-1H-indole-2-carbo...)
Show SMILES CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C16H14N2O/c1-18(13-8-3-2-4-9-13)16(19)15-11-12-7-5-6-10-14(12)17-15/h2-11,17H,1H3
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3.50E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50168981
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1
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3.50E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273528
PNG
(CHEMBL460608 | N-Methyl,N-(2-phenylethyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(12-11-14-7-3-2-4-8-14)18(21)17-13-15-9-5-6-10-16(15)19-17/h2-10,13,19H,11-12H2,1H3
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4.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273530
PNG
(CHEMBL460609 | N-(3-Phenylpropyl)-1H-indole-2-carb...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
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5.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
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PubMed
5.40E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273491
PNG
(CHEMBL444747 | N-Benzyl,N-methyl-1-methyl-1H-indol...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C18H18N2O/c1-19(13-14-8-4-3-5-9-14)18(21)17-12-15-10-6-7-11-16(15)20(17)2/h3-12H,13H2,1-2H3
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6.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273591
PNG
(CHEMBL459962 | N-(1-Methyl-1H-indol-2-ylmethyl)-N-...)
Show SMILES CN(Cc1cc2ccccc2n1C)c1ccccc1
Show InChI InChI=1S/C17H18N2/c1-18(15-9-4-3-5-10-15)13-16-12-14-8-6-7-11-17(14)19(16)2/h3-12H,13H2,1-2H3
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6.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273529
PNG
(CHEMBL503807 | N-Methyl,N-(2-phenylethyl)-1-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C19H20N2O/c1-20(13-12-15-8-4-3-5-9-15)19(22)18-14-16-10-6-7-11-17(16)21(18)2/h3-11,14H,12-13H2,1-2H3
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6.50E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273620
PNG
(CHEMBL460828 | N-(1-Methyl-1H-indol-2-ylmethyl)-N-...)
Show SMILES CN(CCc1ccccc1)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C19H22N2/c1-20(13-12-16-8-4-3-5-9-16)15-18-14-17-10-6-7-11-19(17)21(18)2/h3-11,14H,12-13,15H2,1-2H3
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7.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15586
PNG
(N-(2-Phenylethyl),N-methyl-1H-pyrrole-2-carboxamid...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H16N2O/c1-16(14(17)13-8-5-10-15-13)11-9-12-6-3-2-4-7-12/h2-8,10,15H,9,11H2,1H3
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7.00E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50168984
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m0/s1
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9.51E+6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273590
PNG
(CHEMBL449889 | N-(1-Methyl-1H-indol-2-ylmethyl)-N-...)
Show SMILES Cn1c(CNc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C16H16N2/c1-18-15(11-13-7-5-6-10-16(13)18)12-17-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3
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1.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50168982
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3/t17-/m1/s1
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1.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273566
PNG
(CHEMBL461245 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(Cc1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C16H16N2/c1-18(15-8-3-2-4-9-15)12-14-11-13-7-5-6-10-16(13)17-14/h2-11,17H,12H2,1H3
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1.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273660
PNG
((R)-N-(alpha-Cyclohexylethyl)-N-(1H-indol-2-ylmeth...)
Show SMILES C[C@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H26N2/c1-14(15-8-4-3-5-9-15)20(2)13-17-12-16-10-6-7-11-18(16)19-17/h6-7,10-12,14-15,19H,3-5,8-9,13H2,1-2H3/t14-/m1/s1
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1.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273657
PNG
((S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-indole-2...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C18H24N2O/c1-13(14-8-4-3-5-9-14)20(2)18(21)17-12-15-10-6-7-11-16(15)19-17/h6-7,10-14,19H,3-5,8-9H2,1-2H3/t13-/m0/s1
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1.20E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273488
PNG
(CHEMBL464798 | N-Methyl, N-phenyl-1-methyl-1H-indo...)
Show SMILES CN(C(=O)c1cc2ccccc2n1C)c1ccccc1
Show InChI InChI=1S/C17H16N2O/c1-18(14-9-4-3-5-10-14)17(20)16-12-13-8-6-7-11-15(13)19(16)2/h3-12H,1-2H3
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1.50E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15606
PNG
((R)-N-(alpha-Cyclohexylethyl)-N-methyl,N-(pyrrol-2...)
Show SMILES C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1 |r|
Show InChI InChI=1S/C14H24N2/c1-12(13-7-4-3-5-8-13)16(2)11-14-9-6-10-15-14/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3/t12-/m1/s1
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2.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15595
PNG
((2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine | N-(2-...)
Show SMILES C(Cc1ccccc1)NCc1ccc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h1-7,9,14-15H,8,10-11H2
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2.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15605
PNG
((S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m0/s1
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2.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273489
PNG
(CHEMBL464799 | N-Benzyl-1H-indole-2-carboxamide)
Show SMILES O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19)
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3.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15588
PNG
(N-(3-Phenylpropyl),N-methyl-1H-pyrrole-2-carboxami...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c1-17(15(18)14-10-5-11-16-14)12-6-9-13-7-3-2-4-8-13/h2-5,7-8,10-11,16H,6,9,12H2,1H3
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4.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
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4.40E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15596
PNG
(N-Methyl,N-(2-phenylethylyl),N-(pyrrol-2-ylmethyl)...)
Show SMILES CN(CCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C14H18N2/c1-16(12-14-8-5-10-15-14)11-9-13-6-3-2-4-7-13/h2-8,10,15H,9,11-12H2,1H3
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5.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15597
PNG
(N-Methyl,N-(3-phenylpropyl),N-(pyrrol-2-ylmethyl)a...)
Show SMILES CN(CCCc1ccccc1)Cc1ccc[nH]1
Show InChI InChI=1S/C15H20N2/c1-17(13-15-10-5-11-16-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3
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5.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273659
PNG
((S)-N-(a-Cyclohexylethyl)-N-methyl-1-methyl-1Hindo...)
Show SMILES C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
Show InChI InChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
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5.40E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair
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