BDBM50057854 (5aS,11bR)-2-(3-Methyl-butyl)-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol::CHEMBL41809

SMILES: CC(C)CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1

InChI Key: InChIKey=BTLAJQAIHGUMKQ-OXJNMPFZSA-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 = 50057854   

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(1A) dopamine receptor (RAT)	BDBM50057854 ((5aS,11bR)-2-(3-Methyl-butyl)-4,5,5a,6,7,11b-hexah...) Show SMILES CC(C)CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-11(2)3-5-13-8-15-19(24-13)10-21-16-6-4-12-7-17(22)18(23)9-14(12)20(15)16/h7-9,11,16,20-23H,3-6,10H2,1-2H3/t16-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057854 ((5aS,11bR)-2-(3-Methyl-butyl)-4,5,5a,6,7,11b-hexah...) Show SMILES CC(C)CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-11(2)3-5-13-8-15-19(24-13)10-21-16-6-4-12-7-17(22)18(23)9-14(12)20(15)16/h7-9,11,16,20-23H,3-6,10H2,1-2H3/t16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	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
Dopamine D1 receptor (Carassius auratus)	BDBM50057854 ((5aS,11bR)-2-(3-Methyl-butyl)-4,5,5a,6,7,11b-hexah...) Show SMILES CC(C)CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-11(2)3-5-13-8-15-19(24-13)10-21-16-6-4-12-7-17(22)18(23)9-14(12)20(15)16/h7-9,11,16,20-23H,3-6,10H2,1-2H3/t16-,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	470	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