BDBM50082804 1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-amino}-1-methyl-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL358590

SMILES: CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O

InChI Key: InChIKey=PFFBXNUVJKJZBG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50082804   

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))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+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 In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.48E+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 In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+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 In vitro binding affinity against alpha-1D adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082804 (1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...) Show SMILES CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2| Show InChI InChI=1S/C31H37F2N5O5/c1-4-24-25(27(34)39)26(20-10-11-22(32)23(33)18-20)38(30(42)36-24)29(41)35-15-12-19(2)37-16-13-31(14-17-37,28(40)43-3)21-8-6-5-7-9-21/h5-11,18-19,26H,4,12-17H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.26E+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 In vitro binding affinity against alpha-1D adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair