BDBM50034341 (3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(3aR,9bS)3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::CHEMBL280955

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

InChI Key: InChIKey=ZRAGXRIXRXDXCR-DZGCQCFKSA-N

Data: 11 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50034341   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	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 tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 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))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	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 tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride 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))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	78	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]-U-86,170-labeled dopamine receptor D2 in cloned CHO cells				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	236	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 (Rattus norvegicus (rat))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	236	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 tissue				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	252	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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>333	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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034341 ((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	333	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