BDBM50413068 CHEMBL497979

SMILES: Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1

InChI Key: InChIKey=CTUZKIUJWYPNFV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50413068   

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))	BDBM50413068 (CHEMBL497979) Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413068 (CHEMBL497979) Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50413068 (CHEMBL497979) Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413068 (CHEMBL497979) Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair