Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046020   

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)	BDBM50091345 (CHEMBL2092861) Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10| Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091347 (CHEMBL71429) Show SMILES CC(Cc1ccccc1)C1=NCCN1 |t:10| Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091336 (CHEMBL3582266) Show SMILES C[C@@H](Cc1ccccc1C)C1=NCCN1 |r,t:11| Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091338 (CHEMBL3582264) Show SMILES CC(Cc1ccccc1C)C1=NCCN1 |t:11| Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt 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 Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091341 (CHEMBL3582261) Show SMILES CC(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:16| Show InChI InChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091342 (CHEMBL3582260) Show SMILES C[C@@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17| Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50412250 (CHEMBL128168) Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17| Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091344 (CHEMBL3582258) Show SMILES CC(Cc1ccccc1-c1ccccc1)C1=NCCN1 |t:17| Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091335 (CHEMBL3582267) Show SMILES CC(Cc1ccccc1Cl)C1=NCCN1 |t:11| Show InChI InChI=1S/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50412260 (CHEMBL273485) Show SMILES CC(Oc1ccccc1)C1=NCCN1 |t:10| Show InChI InChI=1S/C11H14N2O/c1-9(11-12-7-8-13-11)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091340 (CHEMBL3582262) Show SMILES CC(Cc1ccccc1-c1cccnc1)C1=NCCN1 |t:17| Show InChI InChI=1S/C17H19N3/c1-13(17-19-9-10-20-17)11-14-5-2-3-7-16(14)15-6-4-8-18-12-15/h2-8,12-13H,9-11H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091339 (CHEMBL3582263) Show SMILES CC(Cc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18| Show InChI InChI=1S/C18H20N2O/c1-13(18-19-9-10-20-18)11-14-5-2-3-8-17(14)15-6-4-7-16(21)12-15/h2-8,12-13,21H,9-11H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091337 (CHEMBL3582265) Show SMILES C[C@H](Cc1ccccc1C)C1=NCCN1 |r,t:11| Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091343 (CHEMBL3582259) Show SMILES C[C@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17| Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50091346 (CHEMBL1907832) Show SMILES [H][C@@](C)(Cc1ccccc1)C1=NCCN1 |r,t:11| Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes				ACS Med Chem Lett 6: 496-501 (2015) Article DOI: 10.1021/acsmedchemlett.5b00115 BindingDB Entry DOI: 10.7270/Q20C4XGC
					More data for this Ligand-Target Pair