BDBM50419874 CHEMBL1956192

SMILES: CC(Oc1ccccc1Br)C1=NCCN1

InChI Key: InChIKey=NFGYJBCMYUYKCI-UHFFFAOYSA-N

Data: 7 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 11 hits for monomerid = 50419874   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	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))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt 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 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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	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	10	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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt 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
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
Adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	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	10	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