BDBM50100388 CHEMBL3325904

SMILES: CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1

InChI Key: InChIKey=CIGXEMMADCNHCG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50100388   

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))	BDBM50100388 (CHEMBL3325904) Show SMILES CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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))	BDBM50100388 (CHEMBL3325904) Show SMILES CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	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))	BDBM50100388 (CHEMBL3325904) Show SMILES CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt 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]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))	BDBM50100388 (CHEMBL3325904) Show SMILES CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50100388 (CHEMBL3325904) Show SMILES CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3	PDB UniProtKB/SwissProt 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 D3 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