BDBM50057837 (5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol::CHEMBL288536

SMILES: Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O

InChI Key: InChIKey=YWMQJPWBNVVTRC-FZMZJTMJSA-N

Data: 6 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 7 hits for monomerid = 50057837   

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)	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	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
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor				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
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2 receptor				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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1C receptor				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
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against Alpha-1 adrenergic receptor				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)	BDBM50057837 ((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...) Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/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	39	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