BDBM50068829 5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-2,6-dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 2-hydroxy-ethyl ester::CHEMBL347501

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

InChI Key: InChIKey=UJHWKWMULBIBFP-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 = 50068829   

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))	BDBM50068829 (5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.66	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))	BDBM50068829 (5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+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))	BDBM50068829 (5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.85E+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