BDBM50179081 (4R,9aS)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene::CHEMBL203396

SMILES: C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12

InChI Key: InChIKey=PKOPGQYFQBKBPB-APPZFPTMSA-N

Data: 3 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 3 hits for monomerid = 50179081   

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))	BDBM50179081 ((4R,9aS)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12 Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50179081 ((4R,9aS)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12 Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50179081 ((4R,9aS)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12 Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2B receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair