Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50048413   

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))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars		0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
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		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214616 (CHEMBL168960) Show SMILES Clc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O/c15-11-3-1-9(5-12(11)16)6-13-19-14(21-20-13)4-2-10-7-17-8-18-10/h1,3,5,7-8H,2,4,6H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214519 (CHEMBL169994) Show SMILES Ic1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C14H13IN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50070213 (3-(4-Chloro-benzyl)-5-[2-(1H-imidazol-4-yl)-ethyl]...) Show SMILES Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1 Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214619 (CHEMBL169426) Show SMILES FC(F)(F)c1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H13F3N4O/c16-15(17,18)11-3-1-10(2-4-11)7-13-21-14(23-22-13)6-5-12-8-19-9-20-12/h1-4,8-9H,5-7H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214524 (CHEMBL169348) Show SMILES Fc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C14H13FN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214614 (CHEMBL423445) Show SMILES Clc1ccc(Cc2n[nH]c(CCCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H16ClN5/c16-12-6-4-11(5-7-12)8-15-19-14(20-21-15)3-1-2-13-9-17-10-18-13/h4-7,9-10H,1-3,8H2,(H,17,18)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214620 (CHEMBL353939) Show SMILES Clc1ccc(Cc2nc(CCc3c[nH]cn3)no2)cc1 Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-14-18-13(19-20-14)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214617 (CHEMBL168196) Show SMILES Clc1ccc(CCc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H15ClN4O/c16-12-4-1-11(2-5-12)3-7-14-19-15(21-20-14)8-6-13-9-17-10-18-13/h1-2,4-5,9-10H,3,6-8H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214623 (CHEMBL354348) Show SMILES Clc1ccc(Cc2noc(Cc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C13H11ClN4O/c14-10-3-1-9(2-4-10)5-12-17-13(19-18-12)6-11-7-15-8-16-11/h1-4,7-8H,5-6H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50409217 (CHEMBL45056) Show SMILES Clc1ccc(Cc2noc(CCCc3cnc[nH]3)n2)cc1 Show InChI InChI=1S/C15H15ClN4O/c16-12-6-4-11(5-7-12)8-14-19-15(21-20-14)3-1-2-13-9-17-10-18-13/h4-7,9-10H,1-3,8H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214622 (CHEMBL166603) Show SMILES CSc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H16N4OS/c1-21-13-5-2-11(3-6-13)8-14-18-15(20-19-14)7-4-12-9-16-10-17-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214626 (CHEMBL424010) Show SMILES COc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H16N4O2/c1-20-13-5-2-11(3-6-13)8-14-18-15(21-19-14)7-4-12-9-16-10-17-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214526 (CHEMBL168973) Show SMILES C(Cc1nc(Cc2ccc(cc2)-c2ccccc2)no1)c1c[nH]cn1 Show InChI InChI=1S/C20H18N4O/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)12-19-23-20(25-24-19)11-10-18-13-21-14-22-18/h1-9,13-14H,10-12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214625 (CHEMBL354711) Show SMILES Clc1ccc(Cc2nnc(CCc3c[nH]cn3)s2)cc1 Show InChI InChI=1S/C14H13ClN4S/c15-11-3-1-10(2-4-11)7-14-19-18-13(20-14)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214613 (CHEMBL166761) Show SMILES Cn1nc(CCc2c[nH]cn2)nc1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C15H16ClN5/c1-21-15(8-11-2-4-12(16)5-3-11)19-14(20-21)7-6-13-9-17-10-18-13/h2-5,9-10H,6-8H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214621 (CHEMBL169026) Show SMILES Clc1ccc(Cc2csc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H14ClN3S/c16-12-3-1-11(2-4-12)7-14-9-20-15(19-14)6-5-13-8-17-10-18-13/h1-4,8-10H,5-7H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214618 (CHEMBL166802) Show SMILES Clc1ccc(Cc2n[nH]c(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C14H14ClN5/c15-11-3-1-10(2-4-11)7-14-18-13(19-20-14)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214525 (CHEMBL353915) Show SMILES Clc1ccc(CCc2noc(Cc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C14H13ClN4O/c15-11-4-1-10(2-5-11)3-6-13-18-14(20-19-13)7-12-8-16-9-17-12/h1-2,4-5,8-9H,3,6-7H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214624 (CHEMBL352869) Show SMILES CS(=O)(=O)c1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H16N4O3S/c1-23(20,21)13-5-2-11(3-6-13)8-14-18-15(22-19-14)7-4-12-9-16-10-17-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214609 (CHEMBL165537) Show SMILES CS(=O)(=O)Nc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H17N5O3S/c1-24(21,22)20-12-4-2-11(3-5-12)8-14-18-15(23-19-14)7-6-13-9-16-10-17-13/h2-5,9-10,20H,6-8H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50214518 (CHEMBL168889) Show SMILES C[S+]([O-])c1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 Show InChI InChI=1S/C15H16N4O2S/c1-22(20)13-5-2-11(3-6-13)8-14-18-15(21-19-14)7-4-12-9-16-10-17-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0WP5
					More data for this Ligand-Target Pair