BDBM50471340 CHEMBL317912

SMILES: Oc1cccc2C(CCCc12)c1c[nH]cn1

InChI Key: InChIKey=URKMLGAUGBZDSY-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50471340   

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
Adrenergic receptor alpha (NEONATAL RAT)	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat brain membranes				J Med Chem 40: 3014-24 (1997) Article DOI: 10.1021/jm960642q BindingDB Entry DOI: 10.7270/Q2ZG6VZ9
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat brain membranes				J Med Chem 40: 3014-24 (1997) Article DOI: 10.1021/jm960642q BindingDB Entry DOI: 10.7270/Q2ZG6VZ9
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50471340 (CHEMBL317912) Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)	GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair