BDBM50243095 CHEMBL4074978

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(C)nc(C)cc4o3)C(=O)c2c1

InChI Key: InChIKey=FMTFEFZJEIZTPJ-QFIPXVFZSA-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 = 50243095   

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))	BDBM50243095 (CHEMBL4074978) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(C)nc(C)cc4o3)C(=O)c2c1 |r| Show InChI InChI=1S/C22H20N4O5/c1-11-6-17-15(12(2)23-11)8-18(31-17)22(20(28)24-21(29)25-22)10-26-9-13-4-5-14(30-3)7-16(13)19(26)27/h4-8H,9-10H2,1-3H3,(H2,24,25,28,29)/t22-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of catalytic domain TACE (unknown origin) by FRET assay				Bioorg Med Chem Lett 27: 3037-3042 (2017) Article DOI: 10.1016/j.bmcl.2017.05.062 BindingDB Entry DOI: 10.7270/Q2319Z8G
					More data for this Ligand-Target Pair