Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50046604   

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 H4 receptor (Homo sapiens (Human))	BDBM50356884 (CHEMBL1915540) Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r| Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Mus musculus (mouse))	BDBM50006789 (CHEMBL3236549) Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from mouse recombinant histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to guinea pig histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356884 (CHEMBL1915540) Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r| Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to histamine H4 receptor (unknown origin)				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Homo sapiens (Human))	BDBM50006789 (CHEMBL3236549) Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human recombinant histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50356884 (CHEMBL1915540) Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r| Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293T cells				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor (unknown origin)				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50356884 (CHEMBL1915540) Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r| Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from mouse histamine H4 receptor expressed in HEK293T cells				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to mouse histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM50356884 (CHEMBL1915540) Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r| Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from guinea pig histamine H4 receptor expressed in HEK293T cells				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to rat histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50006789 (CHEMBL3236549) Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from rat recombinant histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM50006789 (CHEMBL3236549) Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]histamine from guinea pig recombinant histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356889 (CHEMBL1915532) Show SMILES CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 Show InChI InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to histamine H2 receptor (unknown origin)				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				J Med Chem 58: 7119-27 (2015) Article DOI: 10.1021/acs.jmedchem.5b00516 BindingDB Entry DOI: 10.7270/Q20G3MZK
					More data for this Ligand-Target Pair				3D Structure (crystal)