BDBM28481 (2S)-3-methyl-2-{[12-({[2-(thiophen-2-yl)ethyl]carbamoyl}amino)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-5-]sulfonamido}butanoic acid::dibenzofuran (DBF) scaffold, (S)-26

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc21)C(O)=O

InChI Key: InChIKey=LIBJLMBRYDKFLR-QFIPXVFZSA-N

Data: 2 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 2 hits for monomerid = 28481   

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))	BDBM28481 ((2S)-3-methyl-2-{[12-({[2-(thiophen-2-yl)ethyl]car...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-7-18-19-12-15(5-8-20(19)33-21(18)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM28481 ((2S)-3-methyl-2-{[12-({[2-(thiophen-2-yl)ethyl]car...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-7-18-19-12-15(5-8-20(19)33-21(18)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	22
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
					More data for this Ligand-Target Pair