BDBM50081833 1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-methyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL322405

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

InChI Key: InChIKey=DRPLZBCJHRURKA-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 = 50081833   

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))	BDBM50081833 (1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21| Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	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 against human Alpha-1a adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50081833 (1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21| Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	840	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 against human Alpha-1b adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50081833 (1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21| Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.46E+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 against human Alpha-1d adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair