BDBM50194829 7-(2,4-difluorophenyl)-N-(1-ethylcyclopentyl)-2,3-dihydro-1H-1,4-diazepin-5-amine::CHEMBL373966

SMILES: CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F

InChI Key: InChIKey=XUDZCNCCVGKQSR-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50194829   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194829 (7-(2,4-difluorophenyl)-N-(1-ethylcyclopentyl)-2,3-...) Show SMILES CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F |w:7.7,c:11| Show InChI InChI=1S/C18H23F2N3/c1-2-18(7-3-4-8-18)23-17-12-16(21-9-10-22-17)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity to rat 5HT2A receptor				Bioorg Med Chem Lett 16: 6058-62 (2006) Article DOI: 10.1016/j.bmcl.2006.08.108 BindingDB Entry DOI: 10.7270/Q2D79B26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50194829 (7-(2,4-difluorophenyl)-N-(1-ethylcyclopentyl)-2,3-...) Show SMILES CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F |w:7.7,c:11| Show InChI InChI=1S/C18H23F2N3/c1-2-18(7-3-4-8-18)23-17-12-16(21-9-10-22-17)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor				Bioorg Med Chem Lett 16: 6058-62 (2006) Article DOI: 10.1016/j.bmcl.2006.08.108 BindingDB Entry DOI: 10.7270/Q2D79B26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50194829 (7-(2,4-difluorophenyl)-N-(1-ethylcyclopentyl)-2,3-...) Show SMILES CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F |w:7.7,c:11| Show InChI InChI=1S/C18H23F2N3/c1-2-18(7-3-4-8-18)23-17-12-16(21-9-10-22-17)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 16: 6058-62 (2006) Article DOI: 10.1016/j.bmcl.2006.08.108 BindingDB Entry DOI: 10.7270/Q2D79B26
					More data for this Ligand-Target Pair