Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50005095   

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
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4| Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50488029 ((S)-METHYL-IMIDACLOPRID) Show SMILES C[C@H](N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)/t7-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50488030 ((R,S)-METHYL-IMIDACLOPRID) Show SMILES CC(N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1 Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50488028 ((R)-METHYL-IMIDACLOPRID) Show SMILES C[C@@H](N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)/t7-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM82068 (CHEMBL9732 | Nicotine-D salicylate | Nicotine-L sa...) Show SMILES CN1CCC[C@@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair