BDBM50452115 CHEMBL2112352

SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12

InChI Key: InChIKey=DUUXVHJVUBCPDT-ZCNNSNEGSA-N

Data: 2 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 2 hits for monomerid = 50452115   

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 1A (Homo sapiens (Human))	BDBM50452115 (CHEMBL2112352) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12 Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT				Bioorg Med Chem Lett 14: 2653-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.088 BindingDB Entry DOI: 10.7270/Q2GF0SZH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50452115 (CHEMBL2112352) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12 Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine				Bioorg Med Chem Lett 14: 2653-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.088 BindingDB Entry DOI: 10.7270/Q2GF0SZH
					More data for this Ligand-Target Pair