BDBM50243055 CHEMBL4103164

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)N3CCNCC3)C(=O)c2c1

InChI Key: InChIKey=MMRIPNHYQNDQER-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 = 50243055   

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))	BDBM50243055 (CHEMBL4103164) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)N3CCNCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H24N6O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-26-20(17)29-8-6-25-7-9-29/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33)/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	2.5	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