BDBM50034316 (3aR,9bR)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::CHEMBL24496

SMILES: CCCN1CC[C@H]2[C@H]1CCc1ccccc21

InChI Key: InChIKey=ANSBSVSYIULXCZ-HUUCEWRRSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50034316   

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))	BDBM50034316 ((3aR,9bR)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) Show SMILES CCCN1CC[C@H]2[C@H]1CCc1ccccc21 Show InChI InChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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))	BDBM50034316 ((3aR,9bR)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) Show SMILES CCCN1CC[C@H]2[C@H]1CCc1ccccc21 Show InChI InChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034316 ((3aR,9bR)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) Show SMILES CCCN1CC[C@H]2[C@H]1CCc1ccccc21 Show InChI InChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration 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