BDBM50133020 (1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone::(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone::CHEMBL129199::JNJ-7777120

SMILES: CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=YHFMZBHLJMFAID-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50133020   

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 H4 receptor (Homo sapiens (Human))	BDBM50133020 ((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...) Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells				J Med Chem 48: 8289-98 (2005) Article DOI: 10.1021/jm0502081 BindingDB Entry DOI: 10.7270/Q2C24W00
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50133020 ((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...) Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]- histamine from the recombinant human histamine H4 receptor				J Med Chem 46: 3957-60 (2003) Article DOI: 10.1021/jm0341047 BindingDB Entry DOI: 10.7270/Q2QJ7J1C
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50133020 ((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...) Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins				J Med Chem 56: 4264-76 (2013) Article DOI: 10.1021/jm301886t BindingDB Entry DOI: 10.7270/Q2RJ4NC8
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50133020 ((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...) Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells				Eur J Med Chem 54: 660-8 (2012) Article DOI: 10.1016/j.ejmech.2012.06.016 BindingDB Entry DOI: 10.7270/Q2251K7H
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50133020 ((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...) Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	138	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 [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillat...				Bioorg Med Chem Lett 21: 6274-80 (2011) Article DOI: 10.1016/j.bmcl.2011.09.001 BindingDB Entry DOI: 10.7270/Q28K7BB7
					More data for this Ligand-Target Pair