Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50013115   

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 (Homo sapiens (Human))	BDBM50562736 (CHEMBL4752329) Show SMILES COc1cn(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562729 (CHEMBL4748265) Show SMILES COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562734 (CHEMBL4763867) Show SMILES COc1cn(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562727 (CHEMBL4744905) Show SMILES CCc1c(OC)c(=O)ccn1-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562735 (CHEMBL4753961) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562732 (CHEMBL4740932) Show SMILES COc1cn(ccc1=O)-c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562728 (CHEMBL4741097) Show SMILES COc1cn(c(C)cc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562733 (CHEMBL4790392) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562726 (CHEMBL4764747) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562722 (CHEMBL4790750) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562721 (CHEMBL4746962) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562730 (CHEMBL4742309) Show SMILES CCOc1c(C)n(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562731 (CHEMBL4789311) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562742 (CHEMBL4751577) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562741 (CHEMBL4753396) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562739 (CHEMBL4748967) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562738 (CHEMBL4749796) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562723 (CHEMBL4765168) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562724 (CHEMBL4742244) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCCN2CCN(C)CC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562737 (CHEMBL4764966) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C(C)C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562740 (CHEMBL4782278) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C)C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50562725 (CHEMBL4750326) Show SMILES COc1c(C)n(ccc1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50562729 (CHEMBL4748265) Show SMILES COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H1 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50562729 (CHEMBL4748265) Show SMILES COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H2 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50562729 (CHEMBL4748265) Show SMILES COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human histamine H4 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113096 BindingDB Entry DOI: 10.7270/Q2T72N5B
					More data for this Ligand-Target Pair