BDBM50214295 CHEMBL91221

SMILES: COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O

InChI Key: InChIKey=GIWWCFJNCWGLAP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50214295   

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 2C (Homo sapiens (Human))	BDBM50214295 (CHEMBL91221) Show SMILES COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O Show InChI InChI=1S/C19H23Cl2N3O4/c1-28-16-11-14(21)13(20)10-12(16)15(25)4-2-3-7-24-8-5-19(6-9-24)17(26)22-18(27)23-19/h10-11H,2-9H2,1H3,(H2,22,23,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2HD7XSJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50214295 (CHEMBL91221) Show SMILES COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O Show InChI InChI=1S/C19H23Cl2N3O4/c1-28-16-11-14(21)13(20)10-12(16)15(25)4-2-3-7-24-8-5-19(6-9-24)17(26)22-18(27)23-19/h10-11H,2-9H2,1H3,(H2,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for displacement of [3H]ketanserin from human cloned 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2HD7XSJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50214295 (CHEMBL91221) Show SMILES COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O Show InChI InChI=1S/C19H23Cl2N3O4/c1-28-16-11-14(21)13(20)10-12(16)15(25)4-2-3-7-24-8-5-19(6-9-24)17(26)22-18(27)23-19/h10-11H,2-9H2,1H3,(H2,22,23,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2HD7XSJ
					More data for this Ligand-Target Pair