BDBM50129256 11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline::CHEMBL66660

SMILES: C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12

InChI Key: InChIKey=PXCSHWXWJPYMAD-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 = 50129256   

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))	BDBM50129256 (11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...) Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards human H3L receptor				Bioorg Med Chem Lett 13: 2131-5 (2003) BindingDB Entry DOI: 10.7270/Q2K073N9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50129256 (11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...) Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards human H3L receptor				Bioorg Med Chem Lett 13: 2131-5 (2003) BindingDB Entry DOI: 10.7270/Q2K073N9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50129256 (11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...) Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat cortical Histamine H3 receptor				Bioorg Med Chem Lett 13: 2131-5 (2003) BindingDB Entry DOI: 10.7270/Q2K073N9
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50129256 (11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...) Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards human H2 receptor				Bioorg Med Chem Lett 13: 2131-5 (2003) BindingDB Entry DOI: 10.7270/Q2K073N9
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50129256 (11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...) Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards human H1 receptor				Bioorg Med Chem Lett 13: 2131-5 (2003) BindingDB Entry DOI: 10.7270/Q2K073N9
					More data for this Ligand-Target Pair