BDBM50420341 CHEMBL2089155

SMILES: C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1

InChI Key: InChIKey=SEKAQUSPSDPIAN-LLVKDONJSA-N

Data: 8 KI  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 12 hits for monomerid = 50420341   

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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	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))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+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
Adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	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-2B adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,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)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+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