BDBM50297315 CHEMBL563137::N-Isobutyl-4-(spiro[chromene-2,4'-piperidine]-4-yl)benzamide

SMILES: CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12

InChI Key: InChIKey=KGMWKNNGHUFCIH-UHFFFAOYSA-N

Data: 1 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 4 hits for monomerid = 50297315   

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))	BDBM50297315 (CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...) Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297315 (CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...) Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297315 (CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...) Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)	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	3.19E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297315 (CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...) Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)	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	450	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