BDBM50090034 4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL90184

SMILES: Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1

InChI Key: InChIKey=UOBMJKQDMSSIRF-FOIFJWKZSA-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 = 50090034   

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))	BDBM50090034 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23| Show InChI InChI=1S/C26H26F6N4O2/c27-18-5-2-15(3-6-18)16-8-12-36(13-9-16)11-1-10-33-24(37)21-22(17-4-7-19(28)20(29)14-17)34-25(38)35-23(21)26(30,31)32/h2-7,14,16,21-22H,1,8-13H2,(H,33,37)(H,34,38)/t21?,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description 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))	BDBM50090034 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23| Show InChI InChI=1S/C26H26F6N4O2/c27-18-5-2-15(3-6-18)16-8-12-36(13-9-16)11-1-10-33-24(37)21-22(17-4-7-19(28)20(29)14-17)34-25(38)35-23(21)26(30,31)32/h2-7,14,16,21-22H,1,8-13H2,(H,33,37)(H,34,38)/t21?,22-/m1/s1	UniProtKB/SwissProt 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-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))	BDBM50090034 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23| Show InChI InChI=1S/C26H26F6N4O2/c27-18-5-2-15(3-6-18)16-8-12-36(13-9-16)11-1-10-33-24(37)21-22(17-4-7-19(28)20(29)14-17)34-25(38)35-23(21)26(30,31)32/h2-7,14,16,21-22H,1,8-13H2,(H,33,37)(H,34,38)/t21?,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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