BDBM50452108 CHEMBL2112357

SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12

InChI Key: InChIKey=UUKAZYSPDRJOMA-TYPHKJRUSA-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 = 50452108   

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))	BDBM50452108 (CHEMBL2112357) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	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))	BDBM50452108 (CHEMBL2112357) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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