BDBM50453079 CHEMBL2115213

SMILES: CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1

InChI Key: InChIKey=YNUUJSAVGPCWBG-HQJQHLMTSA-N

Data: 2 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 4 hits for monomerid = 50453079   

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)	BDBM50453079 (CHEMBL2115213) Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50453079 (CHEMBL2115213) Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50453079 (CHEMBL2115213) Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	142	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50453079 (CHEMBL2115213) Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair