BDBM50070186 1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-ylmethyl)-thiourea::CHEMBL14239

SMILES: CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13

InChI Key: InChIKey=VNRVWDFBQJATNK-XGWLTEMNSA-N

Data: 6 IC50

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 6 hits for monomerid = 50070186   

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)	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50070186 (1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...) Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn S.p.A.-CNS Research Curated by ChEMBL					Assay Description Displacement of [3H]-spiroperidol from D2 receptor in rat striatum				Bioorg Med Chem Lett 8: 1117-22 (1999) BindingDB Entry DOI: 10.7270/Q2M61JF3
					More data for this Ligand-Target Pair