BDBM50090040 4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide::CHEMBL91179

SMILES: Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F

InChI Key: InChIKey=FTQQMILDWXDQIW-BPGUCPLFSA-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 = 50090040   

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))	BDBM50090040 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13| Show InChI InChI=1S/C25H26F5N5O2/c26-17-6-5-16(14-18(17)27)21-20(22(25(28,29)30)34-24(37)33-21)23(36)32-10-3-11-35-12-7-15(8-13-35)19-4-1-2-9-31-19/h1-2,4-6,9,14-15,20-21H,3,7-8,10-13H2,(H,32,36)(H,33,37)/t20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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))	BDBM50090040 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13| Show InChI InChI=1S/C25H26F5N5O2/c26-17-6-5-16(14-18(17)27)21-20(22(25(28,29)30)34-24(37)33-21)23(36)32-10-3-11-35-12-7-15(8-13-35)19-4-1-2-9-31-19/h1-2,4-6,9,14-15,20-21H,3,7-8,10-13H2,(H,32,36)(H,33,37)/t20?,21-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+3	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))	BDBM50090040 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13| Show InChI InChI=1S/C25H26F5N5O2/c26-17-6-5-16(14-18(17)27)21-20(22(25(28,29)30)34-24(37)33-21)23(36)32-10-3-11-35-12-7-15(8-13-35)19-4-1-2-9-31-19/h1-2,4-6,9,14-15,20-21H,3,7-8,10-13H2,(H,32,36)(H,33,37)/t20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	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