BDBM50475190 CHEMBL192176

SMILES: Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1

InChI Key: InChIKey=QEBCPSVFPDGMJX-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 = 50475190   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50475190 (CHEMBL192176) Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16| Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	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]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 48: 3478-80 (2005) Article DOI: 10.1021/jm049039v BindingDB Entry DOI: 10.7270/Q2G73HHF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50475190 (CHEMBL192176) Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16| Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes				J Med Chem 48: 3478-80 (2005) Article DOI: 10.1021/jm049039v BindingDB Entry DOI: 10.7270/Q2G73HHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475190 (CHEMBL192176) Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16| Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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 5-hydroxytryptamine 1A receptor expressed in CHO cells				J Med Chem 48: 3478-80 (2005) Article DOI: 10.1021/jm049039v BindingDB Entry DOI: 10.7270/Q2G73HHF
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50475190 (CHEMBL192176) Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16| Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 48: 3478-80 (2005) Article DOI: 10.1021/jm049039v BindingDB Entry DOI: 10.7270/Q2G73HHF
					More data for this Ligand-Target Pair