BDBM50059495 8-Methoxy-3-(4-nitro-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one::CHEMBL88296

SMILES: COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1

InChI Key: InChIKey=HHRUJJWXMZRWIG-UHFFFAOYSA-N

Data: 3 KI

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 = 50059495   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50059495 (8-Methoxy-3-(4-nitro-benzyl)-1,2,3,4-tetrahydro-ch...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro				J Med Chem 40: 2688-93 (1997) Article DOI: 10.1021/jm970170v BindingDB Entry DOI: 10.7270/Q2SF2V8X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50059495 (8-Methoxy-3-(4-nitro-benzyl)-1,2,3,4-tetrahydro-ch...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human cloned Dopamine receptor D3 expressed in CHO K-1 cells in vitro.				J Med Chem 40: 2688-93 (1997) Article DOI: 10.1021/jm970170v BindingDB Entry DOI: 10.7270/Q2SF2V8X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059495 (8-Methoxy-3-(4-nitro-benzyl)-1,2,3,4-tetrahydro-ch...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human cloned Dopamine receptor D2 expressed in CHO K-1 cells in vitro.				J Med Chem 40: 2688-93 (1997) Article DOI: 10.1021/jm970170v BindingDB Entry DOI: 10.7270/Q2SF2V8X
					More data for this Ligand-Target Pair