BDBM50034342 (3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-ol::(3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-ol::(3aS,9bR) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-ol::(Recemic)3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-ol::CHEMBL430332
SMILES: CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
InChI Key: InChIKey=UVOXCNCVSFLEPX-CHWSQXEVSA-N
Data: 11 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound against 5-hydroxytryptamine 1A receptor | Bioorg Med Chem Lett 7: 763-768 (1997) Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand | J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for the inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor, expressed in cloned CHO cells. | Bioorg Med Chem Lett 7: 2759-2764 (1997) Article DOI: 10.1016/S0960-894X(97)10068-3 BindingDB Entry DOI: 10.7270/Q2F47P56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand | J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand | J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arris Pharmaceutical Corporation Curated by ChEMBL | Assay Description Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus | J Med Chem 38: 1295-308 (1995) BindingDB Entry DOI: 10.7270/Q2CJ8CJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand | J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 769 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for the inhibition of [3H]-raclopride binding to Dopamine receptor D2 in rat striatum | Bioorg Med Chem Lett 7: 2759-2764 (1997) Article DOI: 10.1016/S0960-894X(97)10068-3 BindingDB Entry DOI: 10.7270/Q2F47P56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells. | Bioorg Med Chem Lett 7: 2759-2764 (1997) Article DOI: 10.1016/S0960-894X(97)10068-3 BindingDB Entry DOI: 10.7270/Q2F47P56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | >4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for the inhibition of [3H]-spiperone binding to Dopamine receptor D4, expressed in cloned CHO cells | Bioorg Med Chem Lett 7: 2759-2764 (1997) Article DOI: 10.1016/S0960-894X(97)10068-3 BindingDB Entry DOI: 10.7270/Q2F47P56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50034342 ((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | >4.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested in vitro for the inhibition of [3H]-U-86,170 binding to Dopamine receptor D3, expressed in cloned CHO cells | Bioorg Med Chem Lett 7: 2759-2764 (1997) Article DOI: 10.1016/S0960-894X(97)10068-3 BindingDB Entry DOI: 10.7270/Q2F47P56 | |||||||||||
More data for this Ligand-Target Pair |