BDBM50394818 CHEMBL2163831

SMILES: CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=UNDSHGMDHIMJOM-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 50394818   

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
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394818 (CHEMBL2163831) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H27Cl2N3O2/c1-28-11-13-29(14-12-28)22(30)21(15-17-5-3-2-4-6-17)27-23(31)24(9-10-24)19-8-7-18(25)16-20(19)26/h2-8,16,21H,9-15H2,1H3,(H,27,31)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50394818 (CHEMBL2163831) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H27Cl2N3O2/c1-28-11-13-29(14-12-28)22(30)21(15-17-5-3-2-4-6-17)27-23(31)24(9-10-24)19-8-7-18(25)16-20(19)26/h2-8,16,21H,9-15H2,1H3,(H,27,31)/t21-/m0/s1	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	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using testosterone as substrate after 45 mins				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair