Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50008204   

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)	BDBM50071491 (4-(1H-Imidazol-4-yl)-butyramidine | CHEMBL72156 | ...) Show SMILES NC(=N)CCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4/c8-7(9)3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.20	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071496 (CHEMBL73053 | N-(4-Chloro-benzyl)-2-[4-(1H-imidazo...) Show SMILES Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1 Show InChI InChI=1S/C19H19ClN4/c20-17-7-5-16(6-8-17)11-23-19(21)10-15-3-1-14(2-4-15)9-18-12-22-13-24-18/h1-8,12-13H,9-11H2,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.30	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071492 (CHEMBL312341 | N-(4-Chloro-benzyl)-4-(1H-imidazol-...) Show SMILES NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2| Show InChI InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	16	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071488 (4-(1H-Imidazol-4-ylmethyl)-benzamidine | CHEMBL736...) Show SMILES NC(=N)c1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C11H12N4/c12-11(13)9-3-1-8(2-4-9)5-10-6-14-7-15-10/h1-4,6-7H,5H2,(H3,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	38	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071494 (4-(1H-Imidazol-4-ylmethyl)-N-(4-trifluoromethyl-be...) Show SMILES NC(=NCc1ccc(cc1)C(F)(F)F)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2| Show InChI InChI=1S/C19H17F3N4/c20-19(21,22)16-7-3-14(4-8-16)10-25-18(23)15-5-1-13(2-6-15)9-17-11-24-12-26-17/h1-8,11-12H,9-10H2,(H2,23,25)(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	140	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071493 (4-[2-(1H-Imidazol-4-yl)-ethyl]-benzamidine | CHEMB...) Show SMILES NC(=N)c1ccc(CCc2cnc[nH]2)cc1 Show InChI InChI=1S/C12H14N4/c13-12(14)10-4-1-9(2-5-10)3-6-11-7-15-8-16-11/h1-2,4-5,7-8H,3,6H2,(H3,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	165	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071498 (CHEMBL75100 | N-(4-Chloro-benzyl)-3-[4-(1H-imidazo...) Show SMILES Clc1ccc(CNC(=N)CCc2ccc(Cc3cnc[nH]3)cc2)cc1 Show InChI InChI=1S/C20H21ClN4/c21-18-8-5-17(6-9-18)12-24-20(22)10-7-15-1-3-16(4-2-15)11-19-13-23-14-25-19/h1-6,8-9,13-14H,7,10-12H2,(H2,22,24)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	175	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071497 (3-[2-(1H-Imidazol-4-yl)-ethyl]-benzamidine | CHEMB...) Show SMILES NC(=N)c1cccc(CCc2cnc[nH]2)c1 Show InChI InChI=1S/C12H14N4/c13-12(14)10-3-1-2-9(6-10)4-5-11-7-15-8-16-11/h1-3,6-8H,4-5H2,(H3,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	220	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071495 (3-(1H-Imidazol-4-ylmethyl)-benzamidine | CHEMBL753...) Show SMILES NC(=N)c1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C11H12N4/c12-11(13)9-3-1-2-8(4-9)5-10-6-14-7-15-10/h1-4,6-7H,5H2,(H3,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	310	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071499 (3-(1H-Imidazol-4-yl)-benzamidine | CHEMBL72110) Show SMILES NC(=N)c1cccc(c1)-c1c[nH]cn1 Show InChI InChI=1S/C10H10N4/c11-10(12)8-3-1-2-7(4-8)9-5-13-6-14-9/h1-6H,(H3,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	350	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071489 (4-(1H-Imidazol-4-ylmethyl)-N-phenethyl-benzamidine...) Show SMILES N=C(NCCc1ccccc1)c1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C19H20N4/c20-19(22-11-10-15-4-2-1-3-5-15)17-8-6-16(7-9-17)12-18-13-21-14-23-18/h1-9,13-14H,10-12H2,(H2,20,22)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	445	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071490 (4-(1H-Imidazol-4-ylmethyl)-N-(4-methoxy-benzyl)-be...) Show SMILES COc1ccc(CN=C(N)c2ccc(Cc3cnc[nH]3)cc2)cc1 |w:7.6| Show InChI InChI=1S/C19H20N4O/c1-24-18-8-4-15(5-9-18)11-22-19(20)16-6-2-14(3-7-16)10-17-12-21-13-23-17/h2-9,12-13H,10-11H2,1H3,(H2,20,22)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	513	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 Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes				Bioorg Med Chem Lett 8: 2263-8 (1999) BindingDB Entry DOI: 10.7270/Q2TD9WH3
					More data for this Ligand-Target Pair