BDBM50412245 CHEMBL495095

SMILES: CC(Oc1ccccc1CC=C)C1=NCCN1

InChI Key: InChIKey=MNMDMCKHXVHLAW-UHFFFAOYSA-N

Data: 14 KI  1 IC50  4 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 19 hits for monomerid = 50412245   

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))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	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))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	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-2A adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	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]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells				J Med Chem 51: 4289-99 (2008) Article DOI: 10.1021/jm800250z BindingDB Entry DOI: 10.7270/Q2HQ4147
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells				J Med Chem 53: 7825-35 (2010) Article DOI: 10.1021/jm100977d BindingDB Entry DOI: 10.7270/Q24B32JF
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells				J Med Chem 51: 4289-99 (2008) Article DOI: 10.1021/jm800250z BindingDB Entry DOI: 10.7270/Q2HQ4147
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cells				J Med Chem 53: 7825-35 (2010) Article DOI: 10.1021/jm100977d BindingDB Entry DOI: 10.7270/Q24B32JF
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	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]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells				J Med Chem 51: 4289-99 (2008) Article DOI: 10.1021/jm800250z BindingDB Entry DOI: 10.7270/Q2HQ4147
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	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))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells				J Med Chem 53: 7825-35 (2010) Article DOI: 10.1021/jm100977d BindingDB Entry DOI: 10.7270/Q24B32JF
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	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))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as stimulation of extracellular acidification				J Med Chem 51: 4289-99 (2008) Article DOI: 10.1021/jm800250z BindingDB Entry DOI: 10.7270/Q2HQ4147
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Universita` di Camerino Curated by ChEMBL					Assay Description Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry				J Med Chem 53: 7825-35 (2010) Article DOI: 10.1021/jm100977d BindingDB Entry DOI: 10.7270/Q24B32JF
					More data for this Ligand-Target Pair