BDBM50068823 1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester::CHEMBL355910

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

InChI Key: InChIKey=KJPZGJYUDUIYGW-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 = 50068823   

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))	BDBM50068823 (1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.12	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068823 (1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.20	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50068823 (1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.92E+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-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))	BDBM50068823 (1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...) Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18| Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+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-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