BDBM50090038 4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL94259

SMILES: Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N

InChI Key: InChIKey=MNHTZNWGEQJHJN-OZAIVSQSSA-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 = 50090038   

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))	BDBM50090038 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20| Show InChI InChI=1S/C27H25F6N5O2/c28-18-3-4-19(17(12-18)14-34)15-6-10-38(11-7-15)9-1-8-35-25(39)22-23(16-2-5-20(29)21(30)13-16)36-26(40)37-24(22)27(31,32)33/h2-5,12-13,15,22-23H,1,6-11H2,(H,35,39)(H,36,40)/t22?,23-/m1/s1	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
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))	BDBM50090038 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20| Show InChI InChI=1S/C27H25F6N5O2/c28-18-3-4-19(17(12-18)14-34)15-6-10-38(11-7-15)9-1-8-35-25(39)22-23(16-2-5-20(29)21(30)13-16)36-26(40)37-24(22)27(31,32)33/h2-5,12-13,15,22-23H,1,6-11H2,(H,35,39)(H,36,40)/t22?,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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))	BDBM50090038 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20| Show InChI InChI=1S/C27H25F6N5O2/c28-18-3-4-19(17(12-18)14-34)15-6-10-38(11-7-15)9-1-8-35-25(39)22-23(16-2-5-20(29)21(30)13-16)36-26(40)37-24(22)27(31,32)33/h2-5,12-13,15,22-23H,1,6-11H2,(H,35,39)(H,36,40)/t22?,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	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