BDBM50297625 1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea::CHEMBL539475

SMILES: Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1

InChI Key: InChIKey=LCXRMOKMNODMLL-UHFFFAOYSA-N

Data: 3 IC50

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 = 50297625   

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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297625 (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)...) Show SMILES Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1 Show InChI InChI=1S/C31H35F3N6O/c1-22-18-23(2)40(37-22)21-29(25-6-4-3-5-7-25)36-30(41)35-27-13-15-38(16-14-27)19-24-12-17-39(20-24)28-10-8-26(9-11-28)31(32,33)34/h3-12,17-18,20,27,29H,13-16,19,21H2,1-2H3,(H2,35,36,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50297625 (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)...) Show SMILES Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1 Show InChI InChI=1S/C31H35F3N6O/c1-22-18-23(2)40(37-22)21-29(25-6-4-3-5-7-25)36-30(41)35-27-13-15-38(16-14-27)19-24-12-17-39(20-24)28-10-8-26(9-11-28)31(32,33)34/h3-12,17-18,20,27,29H,13-16,19,21H2,1-2H3,(H2,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 after 45 mins				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297625 (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)...) Show SMILES Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1 Show InChI InChI=1S/C31H35F3N6O/c1-22-18-23(2)40(37-22)21-29(25-6-4-3-5-7-25)36-30(41)35-27-13-15-38(16-14-27)19-24-12-17-39(20-24)28-10-8-26(9-11-28)31(32,33)34/h3-12,17-18,20,27,29H,13-16,19,21H2,1-2H3,(H2,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by patch-clamp assay				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair