BDBM50142595 CHEMBL3759287

SMILES: COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)c1

InChI Key: InChIKey=MKDYBKSEUSEICP-RBUKOAKNSA-N

Data: 2 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 2 hits for monomerid = 50142595   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50142595 (CHEMBL3759287) Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)c1 |r| Show InChI InChI=1S/C22H26N6O5/c1-14-6-16(21-25-27-28(26-21)10-18-12-33-19(11-29)13-32-18)8-20(24-14)22(30)23-9-15-4-3-5-17(7-15)31-2/h3-8,18-19,29H,9-13H2,1-2H3,(H,23,30)/t18-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...				J Med Chem 59: 313-27 (2016) BindingDB Entry DOI: 10.7270/Q20G3N0F
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50142595 (CHEMBL3759287) Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)c1 |r| Show InChI InChI=1S/C22H26N6O5/c1-14-6-16(21-25-27-28(26-21)10-18-12-33-19(11-29)13-32-18)8-20(24-14)22(30)23-9-15-4-3-5-17(7-15)31-2/h3-8,18-19,29H,9-13H2,1-2H3,(H,23,30)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins...				J Med Chem 59: 313-27 (2016) BindingDB Entry DOI: 10.7270/Q20G3N0F
					More data for this Ligand-Target Pair