BDBM50297340 CHEMBL562478::N,N-Diethyl-3-methyl-4-(spiro[chromene-2,4'-piperidine]-4-yl)-benzamide

SMILES: CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1

InChI Key: InChIKey=JXKIEMQPJWXXMU-UHFFFAOYSA-N

Data: 3 KI  2 IC50  1 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 6 hits for monomerid = 50297340   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297340 (CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence-based assay				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair