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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042154   
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)
BDBM50421360
PNG
(CHEMBL358119 | SB-207058)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.0251n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
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
n/an/a 0.0794n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50421359
PNG
(CHEMBL145075)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1
Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50421362
PNG
(CHEMBL143862)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50421361
PNG
(CHEMBL143426)
Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair