BDBM50544114 CHEMBL4637409

SMILES: S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=MQGITIPSCMYMEN-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50544114   

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 2C (Homo sapiens (Human))	BDBM50544114 (CHEMBL4637409) Show SMILES S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H31N5S/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dominican College Curated by ChEMBL					Assay Description Antagonist activity at recombinant human 5-HT2C expressed in human U2OS cells by pathhunter beta-arrestin assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50544114 (CHEMBL4637409) Show SMILES S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H31N5S/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
Dominican College Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human 5-HT1A expressed in CHO-K1 cells by pathhunter beta-arrestin assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50544114 (CHEMBL4637409) Show SMILES S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H31N5S/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Dominican College Curated by ChEMBL					Assay Description Antagonist activity at recombinant human 5-HT2A expressed in human U2OS cells by pathhunter beta-arrestin assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair