BDBM50034356 (3aR,9bR)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-ol::CHEMBL25483

SMILES: Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12

InChI Key: InChIKey=MHHLELSXRBTNRD-TZMCWYRMSA-N

Data: 4 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 4 hits for monomerid = 50034356   

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))	BDBM50034356 ((3aR,9bR)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...) Show SMILES Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7-14(12)16/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034356 ((3aR,9bR)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...) Show SMILES Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7-14(12)16/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034356 ((3aR,9bR)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...) Show SMILES Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7-14(12)16/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034356 ((3aR,9bR)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...) Show SMILES Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7-14(12)16/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	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