BDBM50419878 CHEMBL1956195

SMILES: CC(Oc1ccccc1CC1CC1)C1=NCCN1

InChI Key: InChIKey=SEKAQUSPSDPIAN-UHFFFAOYSA-N

Data: 11 KI  1 IC50  6 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 18 hits for monomerid = 50419878   

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))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...				Bioorg Med Chem 20: 2082-90 (2012) Article DOI: 10.1016/j.bmc.2012.01.035 BindingDB Entry DOI: 10.7270/Q2TD9ZKT
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells				Bioorg Med Chem 20: 2082-90 (2012) Article DOI: 10.1016/j.bmc.2012.01.035 BindingDB Entry DOI: 10.7270/Q2TD9ZKT
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	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))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells				Bioorg Med Chem 20: 2082-90 (2012) Article DOI: 10.1016/j.bmc.2012.01.035 BindingDB Entry DOI: 10.7270/Q2TD9ZKT
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human alpha2C adrenoreceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor m...				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells after 240 secs by patch clamp assay				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human alpha2B adrenoreceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor m...				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...				Bioorg Med Chem 20: 2082-90 (2012) Article DOI: 10.1016/j.bmc.2012.01.035 BindingDB Entry DOI: 10.7270/Q2TD9ZKT
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...				Bioorg Med Chem 20: 2082-90 (2012) Article DOI: 10.1016/j.bmc.2012.01.035 BindingDB Entry DOI: 10.7270/Q2TD9ZKT
					More data for this Ligand-Target Pair