BDBM50493811 CHEMBL2443278

SMILES: C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1

InChI Key: InChIKey=PJLIHYXPEOMIMJ-HXUWFJFHSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50493811   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescen...				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluores...				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
L-type calcium channel alpha-1c/beta-2/alpha2delta-1 (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav 1.5 tonic ion channel expressed in HEK293 cells by whole-cell patch clamp technique				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluores...				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as beta-arrestin recruitment by chemiluminescence assay				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50493811 (CHEMBL2443278) Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trevena, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique				J Med Chem 56: 8019-31 (2013) Article DOI: 10.1021/jm4010829 BindingDB Entry DOI: 10.7270/Q2FT8Q0N
					More data for this Ligand-Target Pair