BDBM50241144 CHEMBL1300445

SMILES: COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1

InChI Key: InChIKey=DAQROKUPQZDWMJ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50241144   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50241144 (CHEMBL1300445) Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241144 (CHEMBL1300445) Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair