null

SMILES: Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O

InChI Key: InChIKey=CTNWBZPXZUTRQV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 199161   

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))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33.7	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))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72.2	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))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	471	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))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+5	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