BDBM50194747 ((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine::CHEMBL379637

SMILES: COc1cc(Br)c(OC)c2C[C@@H](CN)c12

InChI Key: InChIKey=MPBCKKVERDTCEL-LURJTMIESA-N

Data: 2 KI  3 EC50

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 5 hits for monomerid = 50194747   

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 2A (Rattus norvegicus (rat))	BDBM50194747 (((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...) Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12 Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of (+/-)-[125I]DOI from rat cloned 5HT2A receptor				J Med Chem 49: 5794-803 (2006) Article DOI: 10.1021/jm060656o BindingDB Entry DOI: 10.7270/Q2NS0TH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50194747 (((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...) Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12 Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor				J Med Chem 49: 5794-803 (2006) Article DOI: 10.1021/jm060656o BindingDB Entry DOI: 10.7270/Q2NS0TH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194747 (((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...) Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12 Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of 2-arachidonylglycerol production				J Med Chem 49: 5794-803 (2006) Article DOI: 10.1021/jm060656o BindingDB Entry DOI: 10.7270/Q2NS0TH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194747 (((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...) Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12 Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of arachidonic acid release				J Med Chem 49: 5794-803 (2006) Article DOI: 10.1021/jm060656o BindingDB Entry DOI: 10.7270/Q2NS0TH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194747 (((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...) Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12 Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of phospholipase C-mediated IP production				J Med Chem 49: 5794-803 (2006) Article DOI: 10.1021/jm060656o BindingDB Entry DOI: 10.7270/Q2NS0TH3
					More data for this Ligand-Target Pair