BDBM50179082 ((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluoren-6-yl)-methanol::CHEMBL206386

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

InChI Key: InChIKey=UKUYYAKTAQAUQY-LDYMZIIASA-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 = 50179082   

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))	BDBM50179082 (((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt 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 [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))	BDBM50179082 (((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	942	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))	BDBM50179082 (((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	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