BDBM138135 US8871783, 21

SMILES: CN1C(=O)Cc2ccc(cc12)-c1sc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1Br

InChI Key: InChIKey=NHWKJXGSSIPUIY-ZVRQAHGESA-N

Data: 1 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 1 hit for monomerid = 138135   

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
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM138135 (US8871783, 21) Show SMILES CN1C(=O)Cc2ccc(cc12)-c1sc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1Br |r| Show InChI InChI=1S/C23H22BrFN4O2S/c1-29-16-7-13(3-2-11(16)8-18(29)30)22-19(24)20(25)17(32-22)9-15(10-26)28-23(31)21-12-4-5-14(6-12)27-21/h2-3,7,12,14-15,21,27H,4-6,8-9H2,1H3,(H,28,31)/t12-,14+,15?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	-11.5	n/a	n/a	n/a	n/a	n/a	6.0	25
Boehringer Ingelheim International GmBh US Patent					Assay Description The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...				US Patent US8871783 (2014) BindingDB Entry DOI: 10.7270/Q2F18XF1
					More data for this Ligand-Target Pair