BDBM175089 US9115102, Ex22

SMILES: Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=ITKDYCRBDBIBLL-PMERELPUSA-N

Data: 1 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 1 hit for monomerid = 175089   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM175089 (US9115102, Ex22) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C32H35N5O4/c1-23-19-26(28-9-5-6-10-29(28)34-23)22-41-27-13-11-25(12-14-27)31(38)33-20-30(32(39)35-40)37-17-15-36(16-18-37)21-24-7-3-2-4-8-24/h2-14,19,30,40H,15-18,20-22H2,1H3,(H,33,38)(H,35,39)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	7.4	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
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