BDBM50492966 CHEMBL2414991

SMILES: CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23

InChI Key: InChIKey=SYKWSIUDXOQIDR-UHFFFAOYSA-N

Data: 8 KI  2 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 10 hits for monomerid = 50492966   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 23: 4824-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.078 BindingDB Entry DOI: 10.7270/Q2BK1G9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 23: 4824-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.078 BindingDB Entry DOI: 10.7270/Q2BK1G9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2S receptor expressed in CHO-K1 cells by radioligand competitive binding analysis				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2S receptor expressed in CHO-K1 cells by radioligand competitive binding analysis				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 23: 4824-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.078 BindingDB Entry DOI: 10.7270/Q2BK1G9S
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 23: 4824-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.078 BindingDB Entry DOI: 10.7270/Q2BK1G9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO-K1 cells by radioligand competitive binding analysis				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	838	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO-K1 cells by radioligand competitive binding analysis				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in CHOK1 cells assessed as inhibition of forskolin induced cAMP production preincubated for 10 mins ...				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50492966 (CHEMBL2414991) Show SMILES CN1CCc2cc(O)c(O)c3-c4ccccc4CC1c23 Show InChI InChI=1S/C17H17NO2/c1-18-7-6-11-9-14(19)17(20)16-12-5-3-2-4-10(12)8-13(18)15(11)16/h2-5,9,13,19-20H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in CHOK1 cells assessed as inhibition of forskolin induced cAMP production preincubated for 10 mins ...				J Nat Prod 83: 127-133 (2020) Article DOI: 10.1021/acs.jnatprod.9b00921
					More data for this Ligand-Target Pair