new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 5120   
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
HTR4


(GUINEA PIG)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

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



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
39.8n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
126n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
158n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
158n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
200n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
200n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
200n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
251n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
501n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




J Neurochem 69: 1810-9 (1997)


Article DOI: 10.1046/j.1471-4159.1997.69051810.x
BindingDB Entry DOI: 10.7270/Q2Z60MMW
More data for this
Ligand-Target Pair