Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50509071'   

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))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H4R expressed in HEK293T-beta-arr2-hH4R cells by beta-arrestin2 recruitment assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at rat H4R expressed in HEK293T-beta-arr2-rH4R cells by beta-arrestin2 recruitment assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at rat H4R expressed in HEK293-SF-rH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at mouse H4R expressed in HEK293T-beta-arr2-mH4R cells by beta-arrestin2 recruitment assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H4R expressed in HEK293-SF-hH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at mouse H4R expressed in HEK293-SF-mH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair