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SMILES: CCCCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1

InChI Key: InChIKey=XNVUFMZAHXMTCP-OXJNMPFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50057838   

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)	BDBM50057838 ((5aS,11bR)-2-Pentyl-4,5,5a,6,7,11b-hexahydro-3-thi...) Show SMILES CCCCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-2-3-4-5-13-9-15-19(24-13)11-21-16-7-6-12-8-17(22)18(23)10-14(12)20(15)16/h8-10,16,20-23H,2-7,11H2,1H3/t16-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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))	BDBM50057838 ((5aS,11bR)-2-Pentyl-4,5,5a,6,7,11b-hexahydro-3-thi...) Show SMILES CCCCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-2-3-4-5-13-9-15-19(24-13)11-21-16-7-6-12-8-17(22)18(23)10-14(12)20(15)16/h8-10,16,20-23H,2-7,11H2,1H3/t16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+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
D(1) dopamine receptor (Carassius auratus)	BDBM50057838 ((5aS,11bR)-2-Pentyl-4,5,5a,6,7,11b-hexahydro-3-thi...) Show SMILES CCCCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1 Show InChI InChI=1S/C20H25NO2S/c1-2-3-4-5-13-9-15-19(24-13)11-21-16-7-6-12-8-17(22)18(23)10-14(12)20(15)16/h8-10,16,20-23H,2-7,11H2,1H3/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	170	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