BDBM50130106 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid benzyl ester::CHEMBL307057

SMILES: COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO

InChI Key: InChIKey=GDYDGGBDRIVFOF-MUUNZHRXSA-N

Data: 3 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 3 hits for monomerid = 50130106   

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
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130106 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130106 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50130106 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair