BDBM50493431 CHEMBL2431280

SMILES: C(Oc1ccccc1OC1CC1)C1=NCCN1

InChI Key: InChIKey=JFZSEYPHJYDMAZ-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50493431   

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 1A (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human 5HT1A receptor				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2A AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2B AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at human alpha2B AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair