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15 similar compounds to monomer 50165466

Compile data set for download or QSAR
Wt: 347.8
BDBM50165457
Wt: 357.4
BDBM50165458
Wt: 361.8
BDBM50165461
Wt: 392.3
BDBM50165465
Wt: 364.3
BDBM50165467
Wt: 406.3
BDBM50165468
Wt: 384.3
BDBM50165469
Wt: 530.6
BDBM50165463
Wt: 380.3
BDBM50165470
Wt: 502.6
BDBM50165464
Wt: 497.5
BDBM50165455
Wt: 544.7
BDBM50165456
Wt: 459.5
BDBM50165459
Wt: 530.6
BDBM50165460
Wt: 502.6
BDBM50165462

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50165457,50165458,50165461,50165465,50165467,50165468,50165469,50165463,50165470,50165464,50165455,50165456,50165459,50165460,50165462   
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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165457
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-1,2,3...)
Show SMILES COc1cc2CCN[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3/t16-,17-/m0/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2A expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165469
PNG
(CHEMBL3797911)
Show SMILES COc1ccc2c(OCc3nnc4ncc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
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n/an/a 0.190n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165458
PNG
((S)-2-((S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3/t18-,19-/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2A expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50165458
PNG
((S)-2-((S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3/t18-,19-/m0/s1
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n/an/a 1.55E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2C expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165458
PNG
((S)-2-((S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3/t18-,19-/m0/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2B expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50165457
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-1,2,3...)
Show SMILES COc1cc2CCN[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3/t16-,17-/m0/s1
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n/an/a 2.49E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2C expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165461
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-2-met...)
Show SMILES COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3/t17-,18-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2B expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165461
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-2-met...)
Show SMILES COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3/t17-,18-/m0/s1
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n/an/a 1.37E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2A expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50165461
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-2-met...)
Show SMILES COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3/t17-,18-/m0/s1
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n/an/a 5.29E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2C expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50165457
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-1,2,3...)
Show SMILES COc1cc2CCN[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3/t16-,17-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2B expressed in Xenopus oocytes


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50165461
PNG
((S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-2-met...)
Show SMILES COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3/t17-,18-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165455
PNG
(CHEMBL3126595)
Show SMILES CCN(CC)c1cc(cc(C)n1)-c1nnc(o1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C26H35N5O5/c1-6-18-11-19(9-16(4)24(18)35-15-21(33)13-27-23(34)14-32)25-29-30-26(36-25)20-10-17(5)28-22(12-20)31(7-2)8-3/h9-12,21,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t21-/m0/s1
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n/an/an/an/a 7.90n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165456
PNG
(CHEMBL3798807)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1sc(CN(C)CC(C)C)c(C)c1C
Show InChI InChI=1S/C28H40N4O5S/c1-8-20-10-21(9-17(4)25(20)36-15-22(34)11-29-24(35)14-33)27-30-28(37-31-27)26-19(6)18(5)23(38-26)13-32(7)12-16(2)3/h9-10,16,22,33-34H,8,11-15H2,1-7H3,(H,29,35)/t22-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165459
PNG
(CHEMBL3798772)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(C=O)s1
Show InChI InChI=1S/C22H25N3O6S/c1-4-14-7-15(5-13(3)20(14)30-11-16(28)8-23-19(29)10-27)21-24-22(31-25-21)17-6-12(2)18(9-26)32-17/h5-7,9,16,27-28H,4,8,10-11H2,1-3H3,(H,23,29)/t16-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165460
PNG
(CHEMBL3799029)
Show SMILES CCCN(C)Cc1sc(c(C)c1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H38N4O5S/c1-7-9-31(6)13-22-17(4)18(5)25(37-22)27-29-26(30-36-27)20-10-16(3)24(19(8-2)11-20)35-15-21(33)12-28-23(34)14-32/h10-11,21,32-33H,7-9,12-15H2,1-6H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165462
PNG
(CHEMBL3800102)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1sc(CN(C)C)c(C)c1C
Show InChI InChI=1S/C25H34N4O5S/c1-7-17-9-18(8-14(2)22(17)33-13-19(31)10-26-21(32)12-30)24-27-25(34-28-24)23-16(4)15(3)20(35-23)11-29(5)6/h8-9,19,30-31H,7,10-13H2,1-6H3,(H,26,32)/t19-/m0/s1
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n/an/an/an/a 6.40n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165463
PNG
(CHEMBL3799441)
Show SMILES CCCN(C)Cc1sc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H38N4O5S/c1-6-9-31(5)14-23-18(7-2)12-22(37-23)27-29-26(30-36-27)20-10-17(4)25(19(8-3)11-20)35-16-21(33)13-28-24(34)15-32/h10-12,21,32-33H,6-9,13-16H2,1-5H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50165464
PNG
(CHEMBL3797647)
Show SMILES CCc1cc(sc1CN(C)C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C25H34N4O5S/c1-6-16-10-20(35-21(16)12-29(4)5)25-27-24(28-34-25)18-8-15(3)23(17(7-2)9-18)33-14-19(31)11-26-22(32)13-30/h8-10,19,30-31H,6-7,11-14H2,1-5H3,(H,26,32)/t19-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165464
PNG
(CHEMBL3797647)
Show SMILES CCc1cc(sc1CN(C)C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C25H34N4O5S/c1-6-16-10-20(35-21(16)12-29(4)5)25-27-24(28-34-25)18-8-15(3)23(17(7-2)9-18)33-14-19(31)11-26-22(32)13-30/h8-10,19,30-31H,6-7,11-14H2,1-5H3,(H,26,32)/t19-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165463
PNG
(CHEMBL3799441)
Show SMILES CCCN(C)Cc1sc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H38N4O5S/c1-6-9-31(5)14-23-18(7-2)12-22(37-23)27-29-26(30-36-27)20-10-17(4)25(19(8-3)11-20)35-16-21(33)13-28-24(34)15-32/h10-12,21,32-33H,6-9,13-16H2,1-5H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165462
PNG
(CHEMBL3800102)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1sc(CN(C)C)c(C)c1C
Show InChI InChI=1S/C25H34N4O5S/c1-7-17-9-18(8-14(2)22(17)33-13-19(31)10-26-21(32)12-30)24-27-25(34-28-24)23-16(4)15(3)20(35-23)11-29(5)6/h8-9,19,30-31H,7,10-13H2,1-6H3,(H,26,32)/t19-/m0/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165460
PNG
(CHEMBL3799029)
Show SMILES CCCN(C)Cc1sc(c(C)c1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H38N4O5S/c1-7-9-31(6)13-22-17(4)18(5)25(37-22)27-29-26(30-36-27)20-10-16(3)24(19(8-2)11-20)35-15-21(33)12-28-23(34)14-32/h10-11,21,32-33H,7-9,12-15H2,1-6H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165456
PNG
(CHEMBL3798807)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1sc(CN(C)CC(C)C)c(C)c1C
Show InChI InChI=1S/C28H40N4O5S/c1-8-20-10-21(9-17(4)25(20)36-15-22(34)11-29-24(35)14-33)27-30-28(37-31-27)26-19(6)18(5)23(38-26)13-32(7)12-16(2)3/h9-10,16,22,33-34H,8,11-15H2,1-7H3,(H,29,35)/t22-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50165459
PNG
(CHEMBL3798772)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(C=O)s1
Show InChI InChI=1S/C22H25N3O6S/c1-4-14-7-15(5-13(3)20(14)30-11-16(28)8-23-19(29)10-27)21-24-22(31-25-21)17-6-12(2)18(9-26)32-17/h5-7,9,16,27-28H,4,8,10-11H2,1-3H3,(H,23,29)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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n/an/a 0.460n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of c-Met in human MKN45 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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n/an/a 0.850n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of c-Met in human EBC-1 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Mer (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYRO3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165467
PNG
(CHEMBL3798905)
Show SMILES FC(F)(c1nnc2ncc(nn12)-c1ccco1)c1ccc2ncccc2c1
Show InChI InChI=1S/C18H10F2N6O/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
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n/an/a 2.30n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of c-Met in human EBC-1 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165468
PNG
(CHEMBL3799263)
Show SMILES CCCn1cc(cn1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H16F2N8/c1-2-8-29-12-14(10-25-29)17-11-24-19-27-26-18(30(19)28-17)20(21,22)15-5-6-16-13(9-15)4-3-7-23-16/h3-7,9-12H,2,8H2,1H3
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n/an/a 0.670n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of c-Met in human EBC-1 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Nucleoprotein TPR


(Mus musculus)
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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n/an/a 1.30n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of TPR-MET in mouse BAF3 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Nucleoprotein TPR


(Mus musculus)
BDBM50165469
PNG
(CHEMBL3797911)
Show SMILES COc1ccc2c(OCc3nnc4ncc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of TPR-MET in mouse NIH/3T3 cells assessed as inhibition of cell proliferation after 72 hrs by SRB or MTT assay


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165468
PNG
(CHEMBL3799263)
Show SMILES CCCn1cc(cn1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H16F2N8/c1-2-8-29-12-14(10-25-29)17-11-24-19-27-26-18(30(19)28-17)20(21,22)15-5-6-16-13(9-15)4-3-7-23-16/h3-7,9-12H,2,8H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165467
PNG
(CHEMBL3798905)
Show SMILES FC(F)(c1nnc2ncc(nn12)-c1ccco1)c1ccc2ncccc2c1
Show InChI InChI=1S/C18H10F2N6O/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
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n/an/a 0.5n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165470
PNG
(CHEMBL3797871)
Show SMILES FC(F)(c1nnc2ncc(nn12)-c1cccs1)c1ccc2ncccc2c1
Show InChI InChI=1S/C18H10F2N6S/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
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n/an/a 1.40n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165465
PNG
(CHEMBL3797579)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C20H11F3N6/c21-15-6-3-12(4-7-15)17-11-25-19-27-26-18(29(19)28-17)20(22,23)14-5-8-16-13(10-14)2-1-9-24-16/h1-11H
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n/an/a 0.240n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 116: 239-251 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.076
BindingDB Entry DOI: 10.7270/Q2P27111
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50165458
PNG
((S)-2-((S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3/t18-,19-/m0/s1
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Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2231-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.025
BindingDB Entry DOI: 10.7270/Q2VM4BR3
More data for this
Ligand-Target Pair