BDBM50036459 1-((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-yl)-butan-1-one::CHEMBL349604

SMILES: CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)CCC)c21

InChI Key: InChIKey=CDPZOLAASNARLZ-NVXWUHKLSA-N

Data: 2 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 2 hits for monomerid = 50036459   

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 (Rattus norvegicus (rat))	BDBM50036459 (1-((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-b...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)CCC)c21 Show InChI InChI=1S/C19H27NO/c1-3-6-18(21)16-8-5-7-14-9-10-17-15(19(14)16)11-13-20(17)12-4-2/h5,7-8,15,17H,3-4,6,9-13H2,1-2H3/t15-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro displacement of radioactively labeled ligand [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor site in CHO cells				J Med Chem 38: 725-34 (1995) BindingDB Entry DOI: 10.7270/Q20Z72B7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036459 (1-((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-b...) Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)CCC)c21 Show InChI InChI=1S/C19H27NO/c1-3-6-18(21)16-8-5-7-14-9-10-17-15(19(14)16)11-13-20(17)12-4-2/h5,7-8,15,17H,3-4,6,9-13H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-U-86,170 from Dopamine receptor D2				J Med Chem 38: 725-34 (1995) BindingDB Entry DOI: 10.7270/Q20Z72B7
					More data for this Ligand-Target Pair