BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'choi' and Initial = 'jh'   
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
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50601549
PNG
(CHEMBL5183632)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50601547
PNG
(CHEMBL5185739)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50601550
PNG
(CHEMBL5183270)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50601548
PNG
(CHEMBL5181883)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00211
BindingDB Entry DOI: 10.7270/Q2RF603J
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332470
PNG
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332478
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332474
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-8-11-26-23(16-20)19-24(28(32)35-26)18-22(27(31)29-33)10-9-21-6-5-7-25(17-21)34-15-14-30-12-3-2-4-13-30/h5-8,11,16-17,19,22,33H,2-4,9-10,12-15,18H2,1H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332473
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-5-12-26-23(17-20)19-24(28(32)35-26)18-22(27(31)29-33)9-6-21-7-10-25(11-8-21)34-16-15-30-13-3-2-4-14-30/h5,7-8,10-12,17,19,22,33H,2-4,6,9,13-16,18H2,1H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332475
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-8-13-27-24(18-21)20-25(29(33)36-27)19-23(28(32)30-34)7-5-6-22-9-11-26(12-10-22)35-17-16-31-14-3-2-4-15-31/h8-13,18,20,23,34H,2-7,14-17,19H2,1H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332472
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-8-9-25-21(14-19)17-23(27(31)34-25)18-22(26(30)28-32)15-20-6-5-7-24(16-20)33-13-12-29-10-3-2-4-11-29/h5-9,14,16-17,22,32H,2-4,10-13,15,18H2,1H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324870
PNG
(CHEMBL1221452 | Naphthalene-2-sulfonic acid benzyl...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H29N3O2S/c1-29-16-18-30(19-17-29)26-12-7-13-27(21-26)31(22-23-8-3-2-4-9-23)34(32,33)28-15-14-24-10-5-6-11-25(24)20-28/h2-15,20-21H,16-19,22H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324861
PNG
(CHEMBL1221449 | Naphthalene-2-sulfonicacid cyclopr...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N3O2S/c1-26-13-15-27(16-14-26)23-7-4-8-24(18-23)28(19-20-9-10-20)31(29,30)25-12-11-21-5-2-3-6-22(21)17-25/h2-8,11-12,17-18,20H,9-10,13-16,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324861
PNG
(CHEMBL1221449 | Naphthalene-2-sulfonicacid cyclopr...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N3O2S/c1-26-13-15-27(16-14-26)23-7-4-8-24(18-23)28(19-20-9-10-20)31(29,30)25-12-11-21-5-2-3-6-22(21)17-25/h2-8,11-12,17-18,20H,9-10,13-16,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333550
PNG
((S)-2-methyl-5-(4-methylpiperazin-1-yl)-1-(naphtha...)
Show SMILES C[C@H]1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C25H27N3O3S/c1-18-16-24(29)25-22(27-14-12-26(2)13-15-27)8-5-9-23(25)28(18)32(30,31)21-11-10-19-6-3-4-7-20(19)17-21/h3-11,17-18H,12-16H2,1-2H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324862
PNG
(CHEMBL1222362 | naphthalene-2-sulfonic acid methyl...)
Show SMILES CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H25N3O2S/c1-23-12-14-25(15-13-23)21-9-5-8-20(17-21)24(2)28(26,27)22-11-10-18-6-3-4-7-19(18)16-22/h3-11,16-17H,12-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333548
PNG
(2-methyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalen...)
Show SMILES CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27N3O3S/c1-18-16-24(29)25-22(27-14-12-26(2)13-15-27)8-5-9-23(25)28(18)32(30,31)21-11-10-19-6-3-4-7-20(19)17-21/h3-11,17-18H,12-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324864
PNG
(CHEMBL1221450 | Naphthalene-2-sulfonic acid cyclop...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(CC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N3O2S/c1-28-15-17-29(18-16-28)25-11-6-12-26(20-25)30(21-22-7-2-3-8-22)33(31,32)27-14-13-23-9-4-5-10-24(23)19-27/h4-6,9-14,19-20,22H,2-3,7-8,15-18,21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333553
PNG
(2,7-dimethyl-5-(4-methylpiperazin-1-yl)-1-(naphtha...)
Show SMILES CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-18-14-23(28-12-10-27(3)11-13-28)26-24(15-18)29(19(2)16-25(26)30)33(31,32)22-9-8-20-6-4-5-7-21(20)17-22/h4-9,14-15,17,19H,10-13,16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332471
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324865
PNG
(CHEMBL1221497 | naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C21H23N3O2S/c1-23-11-13-24(14-12-23)20-8-4-7-19(16-20)22-27(25,26)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,22H,11-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333552
PNG
(2,6-dimethyl-5-(4-methylpiperazin-1-yl)-1-(naphtha...)
Show SMILES CC1CC(=O)c2c(ccc(C)c2N2CCN(C)CC2)N1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N3O3S/c1-18-8-11-23-25(26(18)28-14-12-27(3)13-15-28)24(30)16-19(2)29(23)33(31,32)22-10-9-20-6-4-5-7-21(20)17-22/h4-11,17,19H,12-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324866
PNG
(CHEMBL1222234 | Naphthalene-1-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(22-11-7-10-21(18-22)26-16-14-25(3)15-17-26)30(28,29)24-13-6-9-20-8-4-5-12-23(20)24/h4-13,18-19H,14-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333545
PNG
((S)-2-methyl-7-(4-methylpiperazin-1-yl)-1-(naphtha...)
Show SMILES C[C@H]1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C25H27N3O3S/c1-18-15-25(29)23-10-8-21(27-13-11-26(2)12-14-27)17-24(23)28(18)32(30,31)22-9-7-19-5-3-4-6-20(19)16-22/h3-10,16-18H,11-15H2,1-2H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50333553
PNG
(2,7-dimethyl-5-(4-methylpiperazin-1-yl)-1-(naphtha...)
Show SMILES CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-18-14-23(28-12-10-27(3)11-13-28)26-24(15-18)29(19(2)16-25(26)30)33(31,32)22-9-8-20-6-4-5-7-21(20)17-22/h4-9,14-15,17,19H,10-13,16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324868
PNG
(CHEMBL1222138 | N-Isopropyl-N-[3-(4-methyl-piperaz...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27N3O2S/c1-17(2)23(26(24,25)20-10-5-4-6-11-20)19-9-7-8-18(16-19)22-14-12-21(3)13-15-22/h4-11,16-17H,12-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333541
PNG
(7-(4-methylpiperazin-1-yl)-1-(naphthalen-2-ylsulfo...)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H25N3O3S/c1-25-12-14-26(15-13-25)20-7-9-22-23(17-20)27(11-10-24(22)28)31(29,30)21-8-6-18-4-2-3-5-19(18)16-21/h2-9,16-17H,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50324869
PNG
(CHEMBL1222135 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1ccc(cc1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-11-9-22(10-12-23)26-16-14-25(3)15-17-26)30(28,29)24-13-8-20-6-4-5-7-21(20)18-24/h4-13,18-19H,14-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50333543
PNG
(2-methyl-7-(N-methyl-piperazin-1-yl)-1-(naphthalen...)
Show SMILES CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27N3O3S/c1-18-15-25(29)23-10-8-21(27-13-11-26(2)12-14-27)17-24(23)28(18)32(30,31)22-9-7-19-5-3-4-6-20(19)16-22/h3-10,16-18H,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50333548
PNG
(2-methyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalen...)
Show SMILES CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27N3O3S/c1-18-16-24(29)25-22(27-14-12-26(2)13-15-27)8-5-9-23(25)28(18)32(30,31)21-11-10-19-6-3-4-7-20(19)17-21/h3-11,17-18H,12-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells

Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))		BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



National Center for Advancing Translation Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...

J Med Chem 55: 5734-48 (2012)


Article DOI: 10.1021/jm300063b
BindingDB Entry DOI: 10.7270/Q2H70GZ1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))		BDBM18428
PNG
(Aminoquinoline compound, 1 | N-[4-methyl-2-(morpho...)
Show SMILES Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



National Center for Advancing Translation Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...

J Med Chem 55: 5734-48 (2012)


Article DOI: 10.1021/jm300063b
BindingDB Entry DOI: 10.7270/Q2H70GZ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50324870
PNG
(CHEMBL1221452 | Naphthalene-2-sulfonic acid benzyl...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H29N3O2S/c1-29-16-18-30(19-17-29)26-12-7-13-27(21-26)31(22-23-8-3-2-4-9-23)34(32,33)28-15-14-24-10-5-6-11-25(24)20-28/h2-15,20-21H,16-19,22H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells

Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 250 total )  |  Next  |  Last  >>
Jump to: