BDBM50441081 CHEMBL2430289

SMILES: N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=GWRAQHGIJHUVNF-QNGWXLTQSA-N

Data: 1 IC50

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 = 50441081   

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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50441081 (CHEMBL2430289) Show SMILES N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 |r| Show InChI InChI=1S/C46H41F3N4O13S/c47-46(48,49)65-31-9-7-29(8-10-31)63-30-11-13-32(14-12-30)67(61,62)44(43(59)52-60)18-21-53(22-19-44)41(57)37(50)3-1-2-20-51-40(56)26-4-15-34-33(23-26)42(58)66-45(34)35-16-5-27(54)24-38(35)64-39-25-28(55)6-17-36(39)45/h4-17,23-25,37,54-55,60H,1-3,18-22,50H2,(H,51,56)(H,52,59)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mallinckrodt Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorescence plate reader analysis				Bioorg Med Chem Lett 23: 5566-70 (2013) Article DOI: 10.1016/j.bmcl.2013.08.050 BindingDB Entry DOI: 10.7270/Q2ZP47JS
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