BDBM50068830 1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester::CHEMBL151878

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

InChI Key: InChIKey=UJPDEWMBLYXTHS-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 = 50068830   

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))	BDBM50068830 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.19	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))	BDBM50068830 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.72E+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))	BDBM50068830 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.99E+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