BDBM50453834 CHEMBL4208289

SMILES: CC(=O)N1CC2(C1)CC(CC(=O)NO)(C2)NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

InChI Key: InChIKey=DQKUSPMWZWTCQB-UHFFFAOYSA-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 = 50453834   

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))	BDBM50453834 (CHEMBL4208289) Show SMILES CC(=O)N1CC2(C1)CC(CC(=O)NO)(C2)NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H30N4O6S/c1-18-11-20(23-5-3-4-6-24(23)28-18)13-37-21-7-9-22(10-8-21)38(35,36)30-27(12-25(33)29-34)14-26(15-27)16-31(17-26)19(2)32/h3-11,30,34H,12-17H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE in human PBMC assessed as reduction in LPS-induced TNFalpha production incubated overnight by HTRF assay				Bioorg Med Chem 26: 945-956 (2018) Article DOI: 10.1016/j.bmc.2017.07.054 BindingDB Entry DOI: 10.7270/Q2RX9FPH
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