BDBM50417341 CHEMBL397753

SMILES: C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1

InChI Key: InChIKey=NMSAVNXFCXMJJY-LBPRGKRZSA-N

Data: 6 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 8 hits for monomerid = 50417341   

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))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells				J Med Chem 50: 3964-8 (2007) Checked by Author Article DOI: 10.1021/jm061487a BindingDB Entry DOI: 10.7270/Q2W095NP
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	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))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells				J Med Chem 50: 3964-8 (2007) Checked by Author Article DOI: 10.1021/jm061487a BindingDB Entry DOI: 10.7270/Q2W095NP
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells				J Med Chem 50: 3964-8 (2007) Checked by Author Article DOI: 10.1021/jm061487a BindingDB Entry DOI: 10.7270/Q2W095NP
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	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	741	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417341 (CHEMBL397753) Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20| Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1	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	741	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Agonistic potency at human adrenergic alpha2C receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation				J Med Chem 50: 3964-8 (2007) Checked by Author Article DOI: 10.1021/jm061487a BindingDB Entry DOI: 10.7270/Q2W095NP
					More data for this Ligand-Target Pair