BDBM50068831 1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester::CHEMBL347499

SMILES: CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1

InChI Key: InChIKey=PANSCSQXSYQDJF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50068831   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068831 (1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor				Citation and Details Article DOI: 10.1007/s00044-004-0120-9 BindingDB Entry DOI: 10.7270/Q251424N
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068831 (1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1A adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50068831 (1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1B adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50068831 (1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1D adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair