BDBM50034327 (3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(3aR,9bS)-9-methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(3aS,9bR) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(Recemic) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::CHEMBL284585

SMILES: CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21

InChI Key: InChIKey=HPUKPOAWHHZLIX-ZIAGYGMSSA-N

Data: 7 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 7 hits for monomerid = 50034327   

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))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	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))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	186	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	186	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))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	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))	BDBM50034327 ((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	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