BDBM50317705 4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yloxy)benzonitrile::CHEMBL1097883

SMILES: O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1

InChI Key: InChIKey=DZMJATAIFBTELK-LEWJYISDSA-N

Data: 2 KI  2 IC50  1 Kd

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 = 50317705   

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))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.09	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at rat H3 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of labeled dofetilide human ERG				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair