Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'hosseini' and Initial = 'sk'   

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 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033042 (2-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-5-nitro-pyr...) Show SMILES [O-][N+](=O)c1ccc(SCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C10H10N4O2S/c15-14(16)9-1-2-10(12-6-9)17-4-3-8-5-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033045 (1-Cyclohexyl-3-[3-(1H-imidazol-4-yl)-propyl]-thiou...) Show SMILES S=C(NCCCc1cnc[nH]1)NC1CCCCC1 Show InChI InChI=1S/C13H22N4S/c18-13(17-11-5-2-1-3-6-11)15-8-4-7-12-9-14-10-16-12/h9-11H,1-8H2,(H,14,16)(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033038 (CHEMBL116126 | [2-(1H-Imidazol-4-yl)-ethyl]-(5-tri...) Show SMILES FC(F)(F)c1ccc(NCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C11H11F3N4/c12-11(13,14)8-1-2-10(17-5-8)16-4-3-9-6-15-7-18-9/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033054 (1-Cyclohexyl-3-[4-(1H-imidazol-4-yl)-butyl]-thiour...) Show SMILES S=C(NCCCCc1cnc[nH]1)NC1CCCCC1 Show InChI InChI=1S/C14H24N4S/c19-14(18-12-6-2-1-3-7-12)16-9-5-4-8-13-10-15-11-17-13/h10-12H,1-9H2,(H,15,17)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033036 (CHEMBL419574 | [2-(1H-Imidazol-4-yl)-ethyl]-(5-nit...) Show SMILES [O-][N+](=O)c1ccc(NCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C10H11N5O2/c16-15(17)9-1-2-10(13-6-9)12-4-3-8-5-11-7-14-8/h1-2,5-7H,3-4H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033039 (6-[2-(1H-Imidazol-4-yl)-ethylamino]-nicotinic acid...) Show SMILES COC(=O)c1ccc(NCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C12H14N4O2/c1-18-12(17)9-2-3-11(15-6-9)14-5-4-10-7-13-8-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,16)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033041 (4-(1H-Imidazol-4-yl)-5'-trifluoromethyl-3,4,5,6-te...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C14H15F3N4/c15-14(16,17)11-1-2-13(19-7-11)21-5-3-10(4-6-21)12-8-18-9-20-12/h1-2,7-10H,3-6H2,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033050 (CHEMBL324605 | [2-(1H-Imidazol-4-yl)-ethyl]-(4-nit...) Show SMILES [O-][N+](=O)c1cc[n+]([O-])c(NCCc2cnc[nH]2)c1 Show InChI InChI=1S/C10H11N5O3/c16-14-4-2-9(15(17)18)5-10(14)12-3-1-8-6-11-7-13-8/h2,4-7,12H,1,3H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22888 (1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...) Show SMILES CNC(=S)NCCCCc1cnc[nH]1 Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033052 (2-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-pyridine | ...) Show SMILES C(Cc1cnc[nH]1)Sc1ccccn1 Show InChI InChI=1S/C10H11N3S/c1-2-5-12-10(3-1)14-6-4-9-7-11-8-13-9/h1-3,5,7-8H,4,6H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033053 ((2-Chloro-pyridin-4-yl)-[2-(1H-imidazol-4-yl)-ethy...) Show SMILES Clc1cc(NCCc2cnc[nH]2)ccn1 Show InChI InChI=1S/C10H11ClN4/c11-10-5-8(1-4-14-10)13-3-2-9-6-12-7-15-9/h1,4-7H,2-3H2,(H,12,15)(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033043 (CHEMBL112503 | [3-(1H-Imidazol-4-yl)-propyl]-(5-ni...) Show SMILES [O-][N+](=O)c1ccc(NCCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C11H13N5O2/c17-16(18)10-3-4-11(14-7-10)13-5-1-2-9-6-12-8-15-9/h3-4,6-8H,1-2,5H2,(H,12,15)(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033048 (CHEMBL330926 | N*2*-[2-(1H-Imidazol-4-yl)-ethyl]-p...) Show SMILES Nc1ccc(NCCc2cnc[nH]2)nc1 Show InChI InChI=1S/C10H13N5/c11-8-1-2-10(14-5-8)13-4-3-9-6-12-7-15-9/h1-2,5-7H,3-4,11H2,(H,12,15)(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033037 (CHEMBL324890 | [2-(1H-Imidazol-4-yl)-ethyl]-pyridi...) Show SMILES C(Cc1cnc[nH]1)Nc1ccccn1 Show InChI InChI=1S/C10H12N4/c1-2-5-12-10(3-1)13-6-4-9-7-11-8-14-9/h1-3,5,7-8H,4,6H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033044 (CHEMBL323855 | [2-(1H-Imidazol-4-yl)-ethyl]-pyrazi...) Show SMILES C(Cc1cnc[nH]1)Nc1cnccn1 Show InChI InChI=1S/C9H11N5/c1(8-5-11-7-14-8)2-12-9-6-10-3-4-13-9/h3-7H,1-2H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033047 (CHEMBL326797 | [2-(1H-Imidazol-4-yl)-ethyl]-(3-nit...) Show SMILES [O-][N+](=O)c1cccnc1NCCc1cnc[nH]1 Show InChI InChI=1S/C10H11N5O2/c16-15(17)9-2-1-4-12-10(9)13-5-3-8-6-11-7-14-8/h1-2,4,6-7H,3,5H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033051 (Benzothiazol-2-yl-[2-(1H-imidazol-4-yl)-ethyl]-ami...) Show SMILES C(Cc1cnc[nH]1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C12H12N4S/c1-2-4-11-10(3-1)16-12(17-11)14-6-5-9-7-13-8-15-9/h1-4,7-8H,5-6H2,(H,13,15)(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033055 (CHEMBL419206 | [2-(1H-Imidazol-4-yl)-ethyl]-thiazo...) Show SMILES C(Cc1cnc[nH]1)Nc1nccs1 Show InChI InChI=1S/C8H10N4S/c1(7-5-9-6-12-7)2-10-8-11-3-4-13-8/h3-6H,1-2H2,(H,9,12)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033056 (1H-2-imidazolyl 2-(1H-4-imidazolyl)ethyl sulfide |...) Show SMILES C(Cc1cnc[nH]1)Sc1ncc[nH]1 Show InChI InChI=1S/C8H10N4S/c1(7-5-9-6-12-7)4-13-8-10-2-3-11-8/h2-3,5-6H,1,4H2,(H,9,12)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033049 (CHEMBL112391 | [2-(1H-Imidazol-4-ylmethylsulfanyl)...) Show SMILES [O-][N+](=O)c1ccc(NCCSCc2cnc[nH]2)nc1 Show InChI InChI=1S/C11H13N5O2S/c17-16(18)10-1-2-11(14-6-10)13-3-4-19-7-9-5-12-8-15-9/h1-2,5-6,8H,3-4,7H2,(H,12,15)(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50033040 ((2-Pyridin-2-yl-ethyl)-pyrimidin-2-yl-amine | CHEM...) Show SMILES C(Cc1ccccn1)Nc1ncccn1 Show InChI InChI=1S/C11H12N4/c1-2-6-12-10(4-1)5-9-15-11-13-7-3-8-14-11/h1-4,6-8H,5,9H2,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.				J Med Chem 38: 3342-50 (1995) BindingDB Entry DOI: 10.7270/Q2CN72X5
					More data for this Ligand-Target Pair