Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 232.7 BDBM50259383

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50259383 (6-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-benzo[d]i...) Show SMILES Clc1ccccc1C1CCc2nc[nH]c2C1 Show InChI InChI=1S/C13H13ClN2/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-4,8-9H,5-7H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	276	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 19: 3118-21 (2009) Article DOI: 10.1016/j.bmcl.2009.03.162 BindingDB Entry DOI: 10.7270/Q2R78F42
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50259383 (6-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-benzo[d]i...) Show SMILES Clc1ccccc1C1CCc2nc[nH]c2C1 Show InChI InChI=1S/C13H13ClN2/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-4,8-9H,5-7H2,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 19: 3118-21 (2009) Article DOI: 10.1016/j.bmcl.2009.03.162 BindingDB Entry DOI: 10.7270/Q2R78F42
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50259383 (6-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-benzo[d]i...) Show SMILES Clc1ccccc1C1CCc2nc[nH]c2C1 Show InChI InChI=1S/C13H13ClN2/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-4,8-9H,5-7H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 19: 3118-21 (2009) Article DOI: 10.1016/j.bmcl.2009.03.162 BindingDB Entry DOI: 10.7270/Q2R78F42
					More data for this Ligand-Target Pair