BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2280 hits with Last Name = 'zhao' and Initial = 's'   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477491
PNG
(CHEMBL398034)
Show SMILES Clc1cccc(Cl)c1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19Cl2N3O3S/c19-13-3-1-4-14(20)18(13)27(24,25)23-11-12-26-17-15(5-2-6-16(17)23)22-9-7-21-8-10-22/h1-6,21H,7-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.0631n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477488
PNG
(CHEMBL394690)
Show SMILES COc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H22FN3O4S/c1-26-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-27-19)28(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.158n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<0.300n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to FLT3 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<0.300n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR3 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477473
PNG
(CHEMBL246918)
Show SMILES CC1(C)CN(c2cccc(N3CCNCC3)c2O1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H24FN3O3S/c1-20(2)14-24(28(25,26)18-9-4-3-6-15(18)21)17-8-5-7-16(19(17)27-20)23-12-10-22-11-13-23/h3-9,22H,10-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.316n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477489
PNG
(CHEMBL246705)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCOc2c(cc(Cl)cc12)N1CCNCC1
Show InChI InChI=1S/C18H19ClFN3O3S/c19-13-11-15(22-7-5-21-6-8-22)18-16(12-13)23(9-10-26-18)27(24,25)17-4-2-1-3-14(17)20/h1-4,11-12,21H,5-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.398n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477479
PNG
(CHEMBL246706)
Show SMILES COc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H23N3O4S/c1-25-15-13-17(21-9-7-20-8-10-21)19-18(14-15)22(11-12-26-19)27(23,24)16-5-3-2-4-6-16/h2-6,13-14,20H,7-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.398n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477475
PNG
(CHEMBL246499)
Show SMILES Cc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H22FN3O3S/c1-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-26-19)27(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.398n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18605
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluorometh...)
Show SMILES FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/a 0.5n/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18578
PNG
(6-[bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl...)
Show SMILES FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H11F7N2O/c15-11(16)5-23(6-12(17)18)7-1-2-10-8(3-7)9(14(19,20)21)4-13(24)22-10/h1-4,11-12H,5-6H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5 -55.2n/an/a 0.400n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18607
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-bromo-1,2-dih...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1
Show InChI InChI=1S/C13H9BrF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/a 1n/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18606
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-chloro-1,2-di...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1
Show InChI InChI=1S/C13H9ClF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/a 0.890n/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477477
PNG
(CHEMBL246291)
Show SMILES Clc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C18H18ClN5O4S/c19-12-10-14(23-6-4-20-5-7-23)18-15(11-12)24(8-9-27-18)29(25,26)16-3-1-2-13-17(16)22-28-21-13/h1-3,10-11,20H,4-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.501n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
HCV NS3 Proteinase


(Hepatitis C virus)
BDBM92407
PNG
(BI201335)
Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1
Show InChI InChI=1/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21?,23-,27?,32-,40-/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/an/an/an/a 0.000440 8.50E+58.0n/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...


J Biol Chem 286: 11434-43 (2011)


Article DOI: 10.1074/jbc.M110.211417
BindingDB Entry DOI: 10.7270/Q2WM1C0T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477487
PNG
(CHEMBL246704)
Show SMILES Fc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-11-15(22-7-5-21-6-8-22)18-16(12-13)23(9-10-26-18)27(24,25)17-4-2-1-3-14(17)20/h1-4,11-12,21H,5-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.631n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477490
PNG
(CHEMBL394691)
Show SMILES Fc1ccccc1S(=O)(=O)N1CC2(CCC2)Oc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C21H24FN3O3S/c22-16-5-1-2-8-19(16)29(26,27)25-15-21(9-4-10-21)28-20-17(6-3-7-18(20)25)24-13-11-23-12-14-24/h1-3,5-8,23H,4,9-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.631n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477497
PNG
(CHEMBL246498)
Show SMILES Clc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C21H21ClN4O3S/c22-16-13-17(25-9-7-23-8-10-25)21-18(14-16)26(11-12-29-21)30(27,28)19-5-1-3-15-4-2-6-24-20(15)19/h1-6,13-14,23H,7-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.631n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
0.700n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)


Eur J Med Chem 158: 767-780 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50009386
PNG
(CHEMBL3233867)
Show SMILES C(CCN1CCC(CC1)c1nc2ccccc2o1)COCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1/C31H34N2O4/c1-2-10-23(11-3-1)30-29(35-27-14-6-7-15-28(27)36-30)22-34-21-9-8-18-33-19-16-24(17-20-33)31-32-25-12-4-5-13-26(25)37-31/h1-7,10-15,24,29-30H,8-9,16-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.710n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 24: 1766-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.031
BindingDB Entry DOI: 10.7270/Q2JH3NQ5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50009388
PNG
(CHEMBL3233869)
Show SMILES C(CCOCC1Oc2ccccc2OC1c1ccccc1)CCN1CCC(CC1)c1nc2ccccc2o1
Show InChI InChI=1/C32H36N2O4/c1-3-11-24(12-4-1)31-30(36-28-15-7-8-16-29(28)37-31)23-35-22-10-2-9-19-34-20-17-25(18-21-34)32-33-26-13-5-6-14-27(26)38-32/h1,3-8,11-16,25,30-31H,2,9-10,17-23H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.740n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 24: 1766-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.031
BindingDB Entry DOI: 10.7270/Q2JH3NQ5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477472
PNG
(CHEMBL398036)
Show SMILES Clc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H22ClN3O3S/c23-17-14-19(25-10-8-24-9-11-25)22-20(15-17)26(12-13-29-22)30(27,28)21-7-3-5-16-4-1-2-6-18(16)21/h1-7,14-15,24H,8-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
0.794n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
NS3 Protease


(Hepatitis C Virus)
BDBM92407
PNG
(BI201335)
Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1
Show InChI InChI=1/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21?,23-,27?,32-,40-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.970n/an/an/an/a 0.000530 5.40E+58.0n/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...


J Biol Chem 286: 11434-43 (2011)


Article DOI: 10.1074/jbc.M110.211417
BindingDB Entry DOI: 10.7270/Q2WM1C0T
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50373228
PNG
(CHEMBL253535)
Show SMILES Oc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-6-14(23)21-11-5-4-8-9(15(10)11)7-24-13-3-1-2-12(22)16(8)13/h1-6,22H,7H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477483
PNG
(CHEMBL246078)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H20FN3O3S/c19-14-4-1-2-7-17(14)26(23,24)22-12-13-25-18-15(5-3-6-16(18)22)21-10-8-20-9-11-21/h1-7,20H,8-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477471
PNG
(CHEMBL246917)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCOc2c(cc(F)cc12)N1CCNCC1
Show InChI InChI=1S/C18H21FN4O3S/c19-13-11-16(22-7-5-21-6-8-22)18-17(12-13)23(9-10-26-18)27(24,25)15-3-1-14(20)2-4-15/h1-4,11-12,21H,5-10,20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50170036
PNG
(CHEMBL3805396)
Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Show InChI InChI=1S/C18H21Cl2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting...


J Med Chem 59: 2942-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01416
BindingDB Entry DOI: 10.7270/Q2C82C77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18601
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-di...)
Show SMILES Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/a 0.800n/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
PubMed
1.60n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)


Eur J Med Chem 158: 767-780 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM18588
PNG
(6-[(2,2-difluoroethyl)(2,2,2-trifluoroethyl)amino]...)
Show SMILES FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10F8N2O/c15-11(16)5-24(6-13(17,18)19)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70 -52.1n/an/a 0.200n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
HCV NS3 Proteinase


(Hepatitis C virus)
BDBM92408
PNG
(NS3 protease inhibitor, analog 1)
Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1)-c1csc(NC(=O)C(C)C)n1
Show InChI InChI=1/C40H50N6O9S/c1-8-22-18-40(22,36(50)51)45-34(48)30-16-25(19-46(30)35(49)32(39(4,5)6)43-38(52)55-23-11-9-10-12-23)54-31-17-28(41-27-15-24(53-7)13-14-26(27)31)29-20-56-37(42-29)44-33(47)21(2)3/h8,13-15,17,20-23,25,30,32H,1,9-12,16,18-19H2,2-7H3,(H,43,52)(H,45,48)(H,50,51)(H,42,44,47)/t22?,25-,30?,32-,40-/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.89n/an/an/an/a 0.00220 1.10E+68.0n/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...


J Biol Chem 286: 11434-43 (2011)


Article DOI: 10.1074/jbc.M110.211417
BindingDB Entry DOI: 10.7270/Q2WM1C0T
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR1 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477478
PNG
(CHEMBL246500)
Show SMILES Cc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O3S/c1-15-12-17(23-8-6-22-7-9-23)20-18(13-15)24(10-11-27-20)28(25,26)19-5-3-2-4-16(19)14-21/h2-5,12-13,22H,6-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477494
PNG
(CHEMBL246079)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O3S/c19-14-3-1-4-15(13-14)26(23,24)22-11-12-25-18-16(5-2-6-17(18)22)21-9-7-20-8-10-21/h1-6,13,20H,7-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18579
PNG
(6-[(2-chloro-2,2-difluoroethyl)(2,2-difluoroethyl)...)
Show SMILES FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30 -51.3n/an/a 0.400n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477470
PNG
(CHEMBL394689)
Show SMILES Cc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H23N3O3S/c1-15-13-17(21-9-7-20-8-10-21)19-18(14-15)22(11-12-25-19)26(23,24)16-5-3-2-4-6-16/h2-6,13-14,20H,7-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18589
PNG
(6-[(2-chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(...)
Show SMILES FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H11ClF6N2O/c15-3-4-23(7-13(16,17)18)8-1-2-11-9(5-8)10(14(19,20)21)6-12(24)22-11/h1-2,5-6H,3-4,7H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60 -51.0n/an/a 0.5n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18584
PNG
(6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trif...)
Show SMILES CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O/c1-8(2)23(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13(24)22-12/h3-6,8H,7H2,1-2H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90 -50.7n/an/a 0.900n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50373227
PNG
(CHEMBL257751)
Show SMILES Oc1cccc2c1c1ccc3[nH]c(=O)cc(c3c1oc2=O)C(F)(F)F
Show InChI InChI=1S/C17H8F3NO4/c18-17(19,20)9-6-12(23)21-10-5-4-7-13-8(2-1-3-11(13)22)16(24)25-15(7)14(9)10/h1-6,22H,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18599
PNG
(6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl...)
Show SMILES CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/a 5.80n/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477492
PNG
(CHEMBL398035)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O3S/c19-14-4-1-2-7-17(14)26(23,24)22-12-13-25-18-15(5-3-6-16(18)22)21-10-8-20-9-11-21/h1-7,20H,8-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis


J Med Chem 56: 4671-90 (2013)


Article DOI: 10.1021/jm400408r
BindingDB Entry DOI: 10.7270/Q2R49S50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477495
PNG
(CHEMBL394949)
Show SMILES Clc1cc2N(CCOc2c(c1)N1CCCNCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22ClN3O3S/c20-15-13-17(22-9-4-7-21-8-10-22)19-18(14-15)23(11-12-26-19)27(24,25)16-5-2-1-3-6-16/h1-3,5-6,13-14,21H,4,7-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to c-KIT (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50477474
PNG
(CHEMBL247121)
Show SMILES CC1(C)CN(c2cc(F)cc(C3CCNCC3)c2O1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25FN2O3S/c1-21(2)14-24(28(25,26)17-6-4-3-5-7-17)19-13-16(22)12-18(20(19)27-21)15-8-10-23-11-9-15/h3-7,12-13,15,23H,8-11,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Roche Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3504-7 (2007)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50373240
PNG
(CHEMBL427898)
Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50125136
PNG
(2-[2,3']Bipyridinyl-6'-yl-1-(2,3-dihydro-benzofura...)
Show SMILES C1Cc2cc(ccc2O1)C1N(CCc2c1[nH]c1ccccc21)c1ccc(cn1)-c1ccccn1
Show InChI InChI=1/C29H24N4O/c1-2-7-25-22(5-1)23-12-15-33(27-11-9-21(18-31-27)24-6-3-4-14-30-24)29(28(23)32-25)20-8-10-26-19(17-20)13-16-34-26/h1-11,14,17-18,29,32H,12-13,15-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)


Eur J Med Chem 158: 767-780 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2280 total )  |  Next  |  Last  >>
Jump to: