BDBM50030491 CHEMBL3344470

SMILES: [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21

InChI Key: InChIKey=MRYWDVLOYWQXCU-KRWDZBQOSA-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 = 50030491   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50030491 (CHEMBL3344470) Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis				Bioorg Med Chem 22: 5838-46 (2014) Article DOI: 10.1016/j.bmc.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NC62SQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50030491 (CHEMBL3344470) Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	655	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analys...				Bioorg Med Chem 22: 5838-46 (2014) Article DOI: 10.1016/j.bmc.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NC62SQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50030491 (CHEMBL3344470) Show SMILES [H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C20H24ClNO2S/c1-24-19-9-13-5-7-22-12-14-8-15(4-2-3-6-21)25-20(14)11-17(22)16(13)10-18(19)23/h8-10,17,23H,2-7,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	719	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis				Bioorg Med Chem 22: 5838-46 (2014) Article DOI: 10.1016/j.bmc.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NC62SQ
					More data for this Ligand-Target Pair