BDBM50032517 (6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridine-10,11-diol::CHEMBL104571

SMILES: CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1

InChI Key: InChIKey=CMTLMUAHYIMWAR-VQIMIIECSA-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 = 50032517   

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 (Homo sapiens (Human))	BDBM50032517 ((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...) Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1 Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quimique C£a. Ltd Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Eur J Med Chem 48: 97-107 (2012) Article DOI: 10.1016/j.ejmech.2011.11.039 BindingDB Entry DOI: 10.7270/Q22V2GK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032517 ((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...) Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1 Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quimique C£a. Ltd Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				Eur J Med Chem 48: 97-107 (2012) Article DOI: 10.1016/j.ejmech.2011.11.039 BindingDB Entry DOI: 10.7270/Q22V2GK1
					More data for this Ligand-Target Pair
Adenylate cyclase type V (Rattus norvegicus)	BDBM50032517 ((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...) Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1 Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate				J Med Chem 38: 3062-70 (1995) BindingDB Entry DOI: 10.7270/Q2JD4VTB
					More data for this Ligand-Target Pair