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

Found 741 hits with Last Name = 'nowak' and Initial = 'p'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368742
PNG
(CHEMBL1169525)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25ClFN3O2/c1-29-21-11-18(25)17(23)10-16(21)22(28)26-19-9-15-3-2-4-20(19)27(15)12-13-5-7-14(24)8-6-13/h5-8,10-11,15,19-20H,2-4,9,12,25H2,1H3,(H,26,28)/t15?,19-,20?/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0280n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042733
PNG
((9-Benzyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-(5-bro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N1CC2CCCC(C1)N2Cc1ccccc1 |TLB:10:12:15.16.17:20,21:20:15.16.17:19.12.13|
Show InChI InChI=1S/C22H26ClN3O2/c1-28-21-11-20(24)19(23)10-18(21)22(27)25-13-16-8-5-9-17(14-25)26(16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16-17H,5,8-9,12-14,24H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042732
PNG
(4-Amino-N-(9-benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H28ClN3O2/c1-29-22-13-21(25)20(24)12-19(22)23(28)26-16-10-17-8-5-9-18(11-16)27(17)14-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-18H,5,8-11,14,25H2,1H3,(H,26,28)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0360n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456208
PNG
(CHEMBL2112605)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040079
PNG
(CHEMBL308524 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.210n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.310n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
0.380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
0.630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042726
PNG
(4-Amino-5-chloro-N-[1-(4-fluoro-benzyl)-piperidin-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H23ClFN3O2/c1-27-19-11-18(23)17(21)10-16(19)20(26)24-15-6-8-25(9-7-15)12-13-2-4-14(22)5-3-13/h2-5,10-11,15H,6-9,12,23H2,1H3,(H,24,26)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
0.950n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
2.20n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368742
PNG
(CHEMBL1169525)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25ClFN3O2/c1-29-21-11-18(25)17(23)10-16(21)22(28)26-19-9-15-3-2-4-20(19)27(15)12-13-5-7-14(24)8-6-13/h5-8,10-11,15,19-20H,2-4,9,12,25H2,1H3,(H,26,28)/t15?,19-,20?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
5.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
5-HT5B


(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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
7.80n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84746
PNG
(BRL 34778 | BRL-34778)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H27ClFN3O2/c1-30-22-12-21(26)20(24)11-19(22)23(29)27-16-9-17-3-2-4-18(10-16)28(17)13-14-5-7-15(25)8-6-14/h5-8,11-12,16-18H,2-4,9-10,13,26H2,1H3,(H,27,29)/t16-,17-,18+
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50280055
PNG
(50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
31n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
40.7n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151392
PNG
(CHEMBL3775262)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
43n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
44.2n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
46n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
84n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
89n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
94n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
117n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042726
PNG
(4-Amino-5-chloro-N-[1-(4-fluoro-benzyl)-piperidin-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H23ClFN3O2/c1-27-19-11-18(23)17(21)10-16(19)20(26)24-15-6-8-25(9-7-15)12-13-2-4-14(22)5-3-13/h2-5,10-11,15H,6-9,12,23H2,1H3,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
283n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50286672
PNG
((S)-2-(2-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-a...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cc12
Show InChI InChI=1S/C23H27N5O5/c24-8-7-15-11-26-19-6-5-17(10-18(15)19)33-13-22(31)27-12-21(30)28-20(23(25)32)9-14-1-3-16(29)4-2-14/h1-6,10-11,20,26,29H,7-9,12-13,24H2,(H2,25,32)(H,27,31)(H,28,30)/t20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
582n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
683n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
807n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM35234
PNG
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)
Show SMILES NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Heidelberg ZMBH

Curated by PDSP Ki Database




FEBS Lett 333: 25-31 (1993)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2D798XK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50042726
PNG
(4-Amino-5-chloro-N-[1-(4-fluoro-benzyl)-piperidin-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H23ClFN3O2/c1-27-19-11-18(23)17(21)10-16(19)20(26)24-15-6-8-25(9-7-15)12-13-2-4-14(22)5-3-13/h2-5,10-11,15H,6-9,12,23H2,1H3,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.84E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 741 total )  |  Next  |  Last  >>
Jump to: