BDBM50057850 (5aS,11bS)-2-Hexyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol::CHEMBL289927

SMILES: CCCCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1

InChI Key: InChIKey=RPOAEKBVMRYCPD-PXNSSMCTSA-N

Data: 2 KI  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 3 hits for monomerid = 50057850   

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 (Rattus norvegicus (rat))	BDBM50057850 ((5aS,11bS)-2-Hexyl-4,5,5a,6,7,11b-hexahydro-1-thia...) Show SMILES CCCCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1 Show InChI InChI=1S/C21H27NO2S/c1-2-3-4-5-6-15-9-14-12-22-17-8-7-13-10-18(23)19(24)11-16(13)20(17)21(14)25-15/h9-11,17,20,22-24H,2-8,12H2,1H3/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand				J Med Chem 40: 1585-99 (1997) Article DOI: 10.1021/jm970038v BindingDB Entry DOI: 10.7270/Q2Z89D2B
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50057850 ((5aS,11bS)-2-Hexyl-4,5,5a,6,7,11b-hexahydro-1-thia...) Show SMILES CCCCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1 Show InChI InChI=1S/C21H27NO2S/c1-2-3-4-5-6-15-9-14-12-22-17-8-7-13-10-18(23)19(24)11-16(13)20(17)21(14)25-15/h9-11,17,20,22-24H,2-8,12H2,1H3/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand				J Med Chem 40: 1585-99 (1997) Article DOI: 10.1021/jm970038v BindingDB Entry DOI: 10.7270/Q2Z89D2B
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Carassius auratus)	BDBM50057850 ((5aS,11bS)-2-Hexyl-4,5,5a,6,7,11b-hexahydro-1-thia...) Show SMILES CCCCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1 Show InChI InChI=1S/C21H27NO2S/c1-2-3-4-5-6-15-9-14-12-22-17-8-7-13-10-18(23)19(24)11-16(13)20(17)21(14)25-15/h9-11,17,20,22-24H,2-8,12H2,1H3/t17-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to stimulate the Dopamine receptor D1 like was assayed by measuring cAMP production in cell free homogenates of goldfish retinal tissue				J Med Chem 40: 1585-99 (1997) Article DOI: 10.1021/jm970038v BindingDB Entry DOI: 10.7270/Q2Z89D2B
					More data for this Ligand-Target Pair