BDBM50509072 CHEMBL4454158

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1

InChI Key: InChIKey=GYJOUMCDNZCUAE-UHFFFAOYSA-N

Data: 4 KI  6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50509072   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	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 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	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
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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 5 nM [3H-pyrilamine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342
					More data for this Ligand-Target Pair
Histamine H4 Receptor (Rattus norvegicus (rat))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	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
					More data for this Ligand-Target Pair
Histamine H4 Receptor (Rattus norvegicus (rat))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0501	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
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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
					More data for this Ligand-Target Pair
Histamine H4 Receptor (Mus musculus (mouse))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.251	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
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.123	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
					More data for this Ligand-Target Pair
Histamine H4 Receptor (Mus musculus (mouse))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	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
					More data for this Ligand-Target Pair