BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 5085   
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
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
12.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
63.1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
126n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
126n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

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



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

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



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(HUMAN)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
ADRB2


(RABBIT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
adrenergic Alpha1


(RABBIT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
HRH2


(RABBIT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 233-9 (1997)


BindingDB Entry DOI: 10.7270/Q2GB22KM
More data for this
Ligand-Target Pair