BDBM50243092 CHEMBL4088194

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCNCC3)c3cn[nH]c3)C(=O)c2c1

InChI Key: InChIKey=AODHUACGSXASNY-NDEPHWFRSA-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 = 50243092   

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))	BDBM50243092 (CHEMBL4088194) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCNCC3)c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H28N8O5/c1-40-19-3-2-16-14-35(25(37)20(16)10-19)15-28(26(38)33-27(39)34-28)23-11-21-22(41-23)4-5-24(32-21)36(18-12-30-31-13-18)17-6-8-29-9-7-17/h2-5,10-13,17,29H,6-9,14-15H2,1H3,(H,30,31)(H2,33,34,38,39)/t28-/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	0.400	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