BDBM50068837 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 2-hydroxy-ethyl ester::CHEMBL356623

SMILES: CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1

InChI Key: InChIKey=GYYVAEHNOBJARP-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 = 50068837   

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))	BDBM50068837 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05	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))	BDBM50068837 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+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))	BDBM50068837 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	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