Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50005238   

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
Histamine H3 receptor (GUINEA PIG)	BDBM50034711 ((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...) Show SMILES C[C@@H](N)[C@H](C)c1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034706 ((1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...) Show SMILES C[C@@H](N)[C@@H](C)c1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034707 (4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@@H]1NCC[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034709 ((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopentylamine | CH...) Show SMILES N[C@H]1CCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034710 ((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-cyclohexylam...) Show SMILES C[C@@]1(N)CCCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C10H17N3/c1-10(11)5-3-2-4-8(10)9-6-12-7-13-9/h6-8H,2-5,11H2,1H3,(H,12,13)/t8-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034713 ((1S,2S)-2-(1H-Imidazol-4-yl)-1-methyl-cyclohexylam...) Show SMILES C[C@]1(N)CCCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C10H17N3/c1-10(11)5-3-2-4-8(10)9-6-12-7-13-9/h6-8H,2-5,11H2,1H3,(H,12,13)/t8-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against H1 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50034707 (4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@@H]1NCC[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against H1 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against H1 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair