BDBM50146357 CHEMBL329268::Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H-1-oxa-dibenzo[e,h]azulen-2-yl)methyl]-amine

SMILES: CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21

InChI Key: InChIKey=ACTVOFFLDWZANE-PWIZWCRZSA-N

Data: 3 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 3 hits for monomerid = 50146357   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50146357 (CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...) Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 2765-71 (2004) Article DOI: 10.1016/j.bmcl.2004.03.069 BindingDB Entry DOI: 10.7270/Q21835ZF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50146357 (CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...) Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 2765-71 (2004) Article DOI: 10.1016/j.bmcl.2004.03.069 BindingDB Entry DOI: 10.7270/Q21835ZF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50146357 (CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...) Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells				Bioorg Med Chem Lett 14: 2765-71 (2004) Article DOI: 10.1016/j.bmcl.2004.03.069 BindingDB Entry DOI: 10.7270/Q21835ZF
					More data for this Ligand-Target Pair