BDBM50034312 (3aS,9aR)-5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole::5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole::CHEMBL275480

SMILES: COc1cccc2C[C@H]3NCC[C@@H]3Cc12

InChI Key: InChIKey=OBGADVDRELNMHY-ZYHUDNBSSA-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 = 50034312   

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))	BDBM50034312 ((3aS,9aR)-5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-ben...) Show SMILES COc1cccc2C[C@H]3NCC[C@@H]3Cc12 Show InChI InChI=1S/C13H17NO/c1-15-13-4-2-3-9-8-12-10(5-6-14-12)7-11(9)13/h2-4,10,12,14H,5-8H2,1H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	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))	BDBM50034312 ((3aS,9aR)-5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-ben...) Show SMILES COc1cccc2C[C@H]3NCC[C@@H]3Cc12 Show InChI InChI=1S/C13H17NO/c1-15-13-4-2-3-9-8-12-10(5-6-14-12)7-11(9)13/h2-4,10,12,14H,5-8H2,1H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	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: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034312 ((3aS,9aR)-5-Methoxy-2,3,3a,4,9,9a-hexahydro-1H-ben...) Show SMILES COc1cccc2C[C@H]3NCC[C@@H]3Cc12 Show InChI InChI=1S/C13H17NO/c1-15-13-4-2-3-9-8-12-10(5-6-14-12)7-11(9)13/h2-4,10,12,14H,5-8H2,1H3/t10-,12-/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: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair