Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor' and Ligand = 'BDBM50225285'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes				J Med Chem 29: 1394-8 (1986) BindingDB Entry DOI: 10.7270/Q21R6SQQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes				J Med Chem 30: 1555-62 (1987) BindingDB Entry DOI: 10.7270/Q2NC63FN
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.				J Med Chem 30: 1011-7 (1987) BindingDB Entry DOI: 10.7270/Q2T155VK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand				J Med Chem 28: 1398-404 (1985) BindingDB Entry DOI: 10.7270/Q2H41TM1
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes				J Med Chem 27: 495-503 (1984) BindingDB Entry DOI: 10.7270/Q24B31WH
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the alpha-2 adrenergic receptor antagonistic activity in rat vas deferens vs clonidine				J Med Chem 30: 1555-62 (1987) BindingDB Entry DOI: 10.7270/Q2NC63FN
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit specific binding of [3H]-clonidine to alpha-2-adrenoceptor.				J Med Chem 29: 1183-8 (1986) BindingDB Entry DOI: 10.7270/Q25H7JFF
					More data for this Ligand-Target Pair