Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50026253   

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 (RAT)	BDBM50270556 (1-[(Imidazolidin-2-yl)imino]-7-methylindazole hydr...) Show SMILES [#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12 Show InChI InChI=1S/C11H13N5/c1-8-3-2-4-9-7-14-16(10(8)9)15-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270560 (2-[(Imidazolidin-2-yl)imino]-5-methylindazole hydr...) Show SMILES [#6]-c1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C11H13N5/c1-8-2-3-10-9(6-8)7-16(14-10)15-11-12-4-5-13-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271295 (1-[(Imidazolidin-2-yl)imino]-4-methoxyindazole hyd...) Show SMILES [#6]-[#8]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12 Show InChI InChI=1S/C11H13N5O/c1-17-10-4-2-3-9-8(10)7-14-16(9)15-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271297 (5-Chloro-1-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1 Show InChI InChI=1S/C10H10ClN5/c11-8-1-2-9-7(5-8)6-14-16(9)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270562 (2-[(Imidazolidin-2-yl)imino]-6-methylindazole hydr...) Show SMILES [#6]-c1ccc2cn(\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)nc2c1 Show InChI InChI=1S/C11H13N5/c1-8-2-3-9-7-16(14-10(9)6-8)15-11-12-4-5-13-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271296 (1-[(Imidazolidin-2-yl)imino]-5-methylindazole hydr...) Show SMILES [#6]-c1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1 Show InChI InChI=1S/C11H13N5/c1-8-2-3-10-9(6-8)7-14-16(10)15-11-12-4-5-13-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270561 (5-Chloro-2-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C10H10ClN5/c11-8-1-2-9-7(5-8)6-16(14-9)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271294 (4-Chloro-1-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12 Show InChI InChI=1S/C10H10ClN5/c11-8-2-1-3-9-7(8)6-14-16(9)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271293 (1-[(Imidazolidin-2-yl)imino]-4-methylindazole hydr...) Show SMILES [#6]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12 Show InChI InChI=1S/C11H13N5/c1-8-3-2-4-10-9(8)7-14-16(10)15-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270559 (4-Chloro-2-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1cccc2nn(cc12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C10H10ClN5/c11-8-2-1-3-9-7(8)6-16(14-9)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271255 (1-[(Imidazolidin-2-yl)imino]indazole hydrochloride...) Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12 Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50271257 (1-[(Imidazolidin-2-yl)imino]-3-phenylindazole hydr...) Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1nc(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C16H15N5/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)21(19-15)20-16-17-10-11-18-16/h1-9H,10-11H2,(H2,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270662 (1-[(imidazolidin-2-yl)imino]benzotriazole hydrochl...) Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1nnc2ccccc12 Show InChI InChI=1S/C9H10N6/c1-2-4-8-7(3-1)12-14-15(8)13-9-10-5-6-11-9/h1-4H,5-6H2,(H2,10,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270563 (1-[(Imidazolidin-2-yl)imino]benzimidazole hydrochl...) Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1cnc2ccccc12 Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)13-7-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair