BDBM50030621 5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl]-2,6-dimethyl-4-(3-nitro-phenyl)-nicotinic acid methyl ester::CHEMBL123102

SMILES: COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=LQIROCVOCINDLE-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50030621   

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))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50030621 (5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair