BDBM86053 B-HT 920::CAS_101626-70-4::CHEMBL279085::NSC_104870::Talipexole::cid_5374

SMILES Nc1nc2CCN(CC=C)CCc2s1

InChI Key InChIKey=DHSSDEDRBUKTQY-UHFFFAOYSA-N

Data  29 KI  2 IC50  2 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 86053   

TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Wyeth-Ayerst Research Laboratories

Curated by ChEMBL
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  5.80nMAssay Description:In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  37.1nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  42.7nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(RAT)
University of California

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  62.2nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  67.6nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  81.3nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(RAT)
University of California

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  152nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  162nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  331nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  398nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  513nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  617nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  955nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  977nMMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  1.26E+3nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  1.70E+3nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Wyeth-Ayerst Research Laboratories

Curated by ChEMBL
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  2.70E+3nMAssay Description:In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity stat...More data for this Ligand-Target Pair
TargetD(1B) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  3.47E+3nMMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi:  3.89E+3nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataEC50:  9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataIC50: 5.00E+5nMAssay Description:Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]-prazosin binding (0.2 nM) to rat isolated brain memb...More data for this Ligand-Target Pair
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataIC50: 25nMAssay Description:Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain memb...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Mus musculus (Mouse))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM86053(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
Affinity DataEC50:  7.61E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair