BDBM50243091 CHEMBL4095929

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N3CCNC(=O)C3)C(=O)c2c1F

InChI Key: InChIKey=WSTMGDNKJKKYFC-DEOSSOPVSA-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 = 50243091   

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))	BDBM50243091 (CHEMBL4095929) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N3CCNC(=O)C3)C(=O)c2c1F |r| Show InChI InChI=1S/C24H21FN6O6/c1-36-15-3-2-12-9-31(21(33)19(12)20(15)25)11-24(22(34)28-23(35)29-24)16-8-13-14(37-16)4-5-17(27-13)30-7-6-26-18(32)10-30/h2-5,8H,6-7,9-11H2,1H3,(H,26,32)(H2,28,29,34,35)/t24-/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	0.600	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