BDBM50100389 CHEMBL3325905

SMILES: CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1

InChI Key: InChIKey=YHMQCSCPZGQBBF-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 = 50100389   

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 2A (Homo sapiens (Human))	BDBM50100389 (CHEMBL3325905) Show SMILES CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition bindin...				Eur J Med Chem 85: 16-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.059 BindingDB Entry DOI: 10.7270/Q2PZ5BK4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50100389 (CHEMBL3325905) Show SMILES CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition bi...				Eur J Med Chem 85: 16-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.059 BindingDB Entry DOI: 10.7270/Q2PZ5BK4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50100389 (CHEMBL3325905) Show SMILES CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cell membranes by liquid scintillation counting based competition binding assa...				Eur J Med Chem 85: 16-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.059 BindingDB Entry DOI: 10.7270/Q2PZ5BK4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50100389 (CHEMBL3325905) Show SMILES CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition b...				Eur J Med Chem 85: 16-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.059 BindingDB Entry DOI: 10.7270/Q2PZ5BK4
					More data for this Ligand-Target Pair