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8 similar compounds to monomer 50192755

Wt: 138.1
BDBM50192743
Wt: 879.3
BDBM50192745
Wt: 412.5
BDBM50192754
Wt: 427.5
BDBM50192757
Wt: 456.2
BDBM50192735
Wt: 418.4
BDBM50192737
Wt: 437.6
BDBM50192742
Wt: 422.6
BDBM50192749

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50192743,50192745,50192754,50192757,50192735,50192737,50192742,50192749   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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4n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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13n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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22n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled T0901317 from LXRalpha LBD (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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86n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled T0901317 from LXRalpha LBD (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(HUMAN)
BDBM50192735
PNG
(CHEMBL3905702)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccc1F)c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrF2N3O/c23-16-9-5-14(6-10-16)20-13-21(15-7-11-17(24)12-8-15)28(27-20)22(29)26-19-4-2-1-3-18(19)25/h1-12,21H,13H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(HUMAN)
BDBM50192737
PNG
(CHEMBL3910259)
Show SMILES Cc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccncc1
Show InChI InChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192742
PNG
(CHEMBL3982272)
Show SMILES CC(C)CN1C[C@@H](CCCCN)N=C(SCCC(=O)NN)c2nn(CC(C)C)cc12
Show InChI InChI=1S/C21H39N7OS/c1-15(2)11-27-13-17(7-5-6-9-22)24-21(30-10-8-19(29)25-23)20-18(27)14-28(26-20)12-16(3)4/h14-17H,5-13,22-23H2,1-4H3,(H,25,29)/t17-/m1/s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair
RYamide receptor


(Drosophila melanogaster)
BDBM50192749
PNG
(CHEMBL3944838)
Show SMILES CC(C)CN1C[C@H](CCCCN)N=C(SCCC(N)=O)c2nn(CC(C)C)cc12
Show InChI InChI=1S/C21H38N6OS/c1-15(2)11-26-13-17(7-5-6-9-22)24-21(29-10-8-19(23)28)20-18(26)14-27(25-20)12-16(3)4/h14-17H,5-13,22H2,1-4H3,(H2,23,28)/t17-/m0/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs ...


Bioorg Med Chem Lett 26: 5116-5118 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.039
BindingDB Entry DOI: 10.7270/Q2DF6T58
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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n/an/a 5.63E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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n/an/a 6.62E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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n/an/an/an/a 189n/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tra...


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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n/an/a 5.37E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tran...


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50192757
PNG
(CHEMBL3914727)
Show SMILES COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(2)21-20-15(11-25(21)18-10-19(29-4)23-14(3)22-18)12-26(24-20)16-7-6-8-17(9-16)30(5,27)28/h6-10,12-13,21H,11H2,1-5H3/t21-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tra...


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tran...


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


()
BDBM50192735
PNG
(CHEMBL3905702)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccc1F)c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrF2N3O/c23-16-9-5-14(6-10-16)20-13-21(15-7-11-17(24)12-8-15)28(27-20)22(29)26-19-4-2-1-3-18(19)25/h1-12,21H,13H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


()
BDBM50192737
PNG
(CHEMBL3910259)
Show SMILES Cc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccncc1
Show InChI InChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31)
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n/an/a 330n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50192754
PNG
(CHEMBL3913348)
Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14(2)21-20-15(12-24(21)16-8-9-22-19(11-16)28-3)13-25(23-20)17-6-5-7-18(10-17)29(4,26)27/h5-11,13-14,21H,12H2,1-4H3/t21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 5044-5050 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.089
BindingDB Entry DOI: 10.7270/Q28P62GC
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50192745
PNG
(CHEBI:75844 | CHEMBL3343985)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
Show InChI InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
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n/an/a 8.40E+3n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase


Bioorg Med Chem 22: 6193-200 (2014)


Article DOI: 10.1016/j.bmc.2014.08.027
BindingDB Entry DOI: 10.7270/Q2DV1MG2
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50192743
PNG
(3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...)
Show SMILES Oc1ccc(C=O)cc1O
Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
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n/an/a 0.400n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase


Bioorg Med Chem 22: 6193-200 (2014)


Article DOI: 10.1016/j.bmc.2014.08.027
BindingDB Entry DOI: 10.7270/Q2DV1MG2
More data for this
Ligand-Target Pair