BDBM50090016 4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-cyano-4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL316358

SMILES: CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N

InChI Key: InChIKey=YKHANSHTGFUQLD-RUZDIDTESA-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 = 50090016   

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))	BDBM50090016 (4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tet...) Show SMILES CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2| Show InChI InChI=1S/C28H27F3N6O2/c1-36-16-21(25(35-27(36)39)18-3-6-23(30)24(31)14-18)26(38)34-9-2-10-37-11-7-28(17-33,8-12-37)22-5-4-20(29)13-19(22)15-32/h3-6,13-14,16,25H,2,7-12H2,1H3,(H,34,38)(H,35,39)/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090016 (4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tet...) Show SMILES CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2| Show InChI InChI=1S/C28H27F3N6O2/c1-36-16-21(25(35-27(36)39)18-3-6-23(30)24(31)14-18)26(38)34-9-2-10-37-11-7-28(17-33,8-12-37)22-5-4-20(29)13-19(22)15-32/h3-6,13-14,16,25H,2,7-12H2,1H3,(H,34,38)(H,35,39)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090016 (4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tet...) Show SMILES CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2| Show InChI InChI=1S/C28H27F3N6O2/c1-36-16-21(25(35-27(36)39)18-3-6-23(30)24(31)14-18)26(38)34-9-2-10-37-11-7-28(17-33,8-12-37)22-5-4-20(29)13-19(22)15-32/h3-6,13-14,16,25H,2,7-12H2,1H3,(H,34,38)(H,35,39)/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair