BDBM50233888 CHEMBL4092215

SMILES: Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1

InChI Key: InChIKey=WPZMNBVWWODJJH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50233888   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50233888 (CHEMBL4092215) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C20H20N6O3S2/c1-12-10-31-19-15(12)17(27)24-16(25-19)18(28)21-9-13-4-2-5-14(8-13)29-6-3-7-30-20-22-11-23-26-20/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50233888 (CHEMBL4092215) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C20H20N6O3S2/c1-12-10-31-19-15(12)17(27)24-16(25-19)18(28)21-9-13-4-2-5-14(8-13)29-6-3-7-30-20-22-11-23-26-20/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-10 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50233888 (CHEMBL4092215) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C20H20N6O3S2/c1-12-10-31-19-15(12)17(27)24-16(25-19)18(28)21-9-13-4-2-5-14(8-13)29-6-3-7-30-20-22-11-23-26-20/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233888 (CHEMBL4092215) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C20H20N6O3S2/c1-12-10-31-19-15(12)17(27)24-16(25-19)18(28)21-9-13-4-2-5-14(8-13)29-6-3-7-30-20-22-11-23-26-20/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.0330	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair