Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50003576   

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
Nischarin (Homo sapiens (Human))	BDBM50070328 (CHEBI:8862 | Rilmenidine) Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6| Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473238 (CHEMBL40399) Show SMILES CCC1CCC(NC(C2CC2)C2CC2)=N1 |c:15| Show InChI InChI=1S/C13H22N2/c1-2-11-7-8-12(14-11)15-13(9-3-4-9)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473241 (CHEMBL288951) Show SMILES C1CC1C(NC1=NCCC1)C1CC1 |t:6| Show InChI InChI=1S/C11H18N2/c1-2-10(12-7-1)13-11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50070357 (CHEMBL288139) Show SMILES CC1CC(NC(C2CC2)C2CC2)=NC1C |c:13| Show InChI InChI=1S/C13H22N2/c1-8-7-12(14-9(8)2)15-13(10-3-4-10)11-5-6-11/h8-11,13H,3-7H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt 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
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473239 (CHEMBL442156) Show SMILES CC1CN=C(C1)NC(C1CC1)C1CC1 |c:3| Show InChI InChI=1S/C12H20N2/c1-8-6-11(13-7-8)14-12(9-2-3-9)10-4-5-10/h8-10,12H,2-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473240 (CHEMBL40337) Show SMILES CC1CCC(NC(C2CC2)C2CC2)=N1 |c:14| Show InChI InChI=1S/C12H20N2/c1-8-2-7-11(13-8)14-12(9-3-4-9)10-5-6-10/h8-10,12H,2-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473242 (CHEMBL40287) Show SMILES C1CC1C(NC1=NC2CCCCC2C1)C1CC1 |t:6| Show InChI InChI=1S/C15H24N2/c1-2-4-13-12(3-1)9-14(16-13)17-15(10-5-6-10)11-7-8-11/h10-13,15H,1-9H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473240 (CHEMBL40337) Show SMILES CC1CCC(NC(C2CC2)C2CC2)=N1 |c:14| Show InChI InChI=1S/C12H20N2/c1-8-2-7-11(13-8)14-12(9-3-4-9)10-5-6-10/h8-10,12H,2-7H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473242 (CHEMBL40287) Show SMILES C1CC1C(NC1=NC2CCCCC2C1)C1CC1 |t:6| Show InChI InChI=1S/C15H24N2/c1-2-4-13-12(3-1)9-14(16-13)17-15(10-5-6-10)11-7-8-11/h10-13,15H,1-9H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473239 (CHEMBL442156) Show SMILES CC1CN=C(C1)NC(C1CC1)C1CC1 |c:3| Show InChI InChI=1S/C12H20N2/c1-8-6-11(13-7-8)14-12(9-2-3-9)10-4-5-10/h8-10,12H,2-7H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473241 (CHEMBL288951) Show SMILES C1CC1C(NC1=NCCC1)C1CC1 |t:6| Show InChI InChI=1S/C11H18N2/c1-2-10(12-7-1)13-11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,12,13)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473237 (CHEMBL40393) Show SMILES CC1CCN=C1NC(C1CC1)C1CC1 |c:4| Show InChI InChI=1S/C12H20N2/c1-8-6-7-13-12(8)14-11(9-2-3-9)10-4-5-10/h8-11H,2-7H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50070328 (CHEBI:8862 | Rilmenidine) Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6| Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50473238 (CHEMBL40399) Show SMILES CCC1CCC(NC(C2CC2)C2CC2)=N1 |c:15| Show InChI InChI=1S/C13H22N2/c1-2-11-7-8-12(14-11)15-13(9-3-4-9)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Homo sapiens (Human))	BDBM50070357 (CHEMBL288139) Show SMILES CC1CC(NC(C2CC2)C2CC2)=NC1C |c:13| Show InChI InChI=1S/C13H22N2/c1-8-7-12(14-9(8)2)15-13(10-3-4-10)11-5-6-11/h8-11,13H,3-7H2,1-2H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50473237 (CHEMBL40393) Show SMILES CC1CCN=C1NC(C1CC1)C1CC1 |c:4| Show InChI InChI=1S/C12H20N2/c1-8-6-7-13-12(8)14-11(9-2-3-9)10-4-5-10/h8-11H,2-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes				J Med Chem 44: 1588-93 (2001) Article DOI: 10.1021/jm001111b BindingDB Entry DOI: 10.7270/Q24M979D
					More data for this Ligand-Target Pair