BDBM50515598 CHEMBL4526049

SMILES: COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1

InChI Key: InChIKey=WJKHUZSNGGHVOF-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 EC50

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 = 50515598   

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))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE assessed as reduction in 5-thio-2-nitrobenzoate anion formation using acetylthiocholine iodide as substrate pre...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596
					More data for this Ligand-Target Pair