BindingDB PrimarySearch

BDBM50034364 (3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::CHEMBL24222

SMILES: COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12

InChI Key: InChIKey=ZRAGXRIXRXDXCR-UKRRQHHQSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50034364
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
Upjohn Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
University of G£teborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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
Arris Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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 [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
Upjohn Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in rat striatum				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
Upjohn Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
University of G£teborg Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	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 [3H]-raclopride-labeled dopamine receptor D2 in rat striatum.				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
Upjohn Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against cloned mammalian dopamine autoreceptor (DA) D2 receptors expressed in CHO-K1 cells using [3H]spiperone as raidoligand				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
University of G£teborg Curated by ChEMBL					More data for this Ligand-Target Pair