BDBM199158 3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline-2,10-diol ((+)-15e)::3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline-2,10-diol ((-)-15e)::3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline-2,10-diol (15e)

SMILES: COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O

InChI Key: InChIKey=XKXRGRIEYGPFJV-UHFFFAOYSA-N

Data: 9 KI  1 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 10 hits for monomerid = 199158   

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))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	n/a
Fudan University					Assay Description The [35S]GTPγS binding assay was performed at 30 °C for 30 min containing 10 μgof membrane protein in a final volume of 100 μL with va...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair