BDBM50084997 4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahydro-4H-furo[3,4-d]pyrimidine-3-carboxylic acid [3-(4-cyano-4-phenyl-piperidin-1-yl)-propyl]-amide::CHEMBL298579

SMILES: Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2

InChI Key: InChIKey=YXGDGGYNHGGLOW-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 = 50084997   

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))	BDBM50084997 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36| Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50084997 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36| Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50084997 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36| Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+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 Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair