BDBM50146353 4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-dibenzo[e,h]azulen-2-yl)methyl]-morpholine::CHEMBL96429

SMILES: C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1

InChI Key: InChIKey=GPVDPKZTACUYNW-IPKCRJEZSA-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 = 50146353   

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))	BDBM50146353 (4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...) Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1 Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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))	BDBM50146353 (4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...) Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1 Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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))	BDBM50146353 (4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...) Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1 Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	433	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