BDBM50233889 CHEMBL4073102

SMILES: Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1

InChI Key: InChIKey=CTRJWUNIPJHDHH-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 = 50233889   

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))	BDBM50233889 (CHEMBL4073102) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O3S2/c1-13-11-32-20-16(13)18(28)25-17(26-20)19(29)22-10-14-5-4-6-15(9-14)30-7-2-3-8-31-21-23-12-24-27-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	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
Collagenase 3 (Homo sapiens (Human))	BDBM50233889 (CHEMBL4073102) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O3S2/c1-13-11-32-20-16(13)18(28)25-17(26-20)19(29)22-10-14-5-4-6-15(9-14)30-7-2-3-8-31-21-23-12-24-27-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	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
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50233889 (CHEMBL4073102) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O3S2/c1-13-11-32-20-16(13)18(28)25-17(26-20)19(29)22-10-14-5-4-6-15(9-14)30-7-2-3-8-31-21-23-12-24-27-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	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))	BDBM50233889 (CHEMBL4073102) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O3S2/c1-13-11-32-20-16(13)18(28)25-17(26-20)19(29)22-10-14-5-4-6-15(9-14)30-7-2-3-8-31-21-23-12-24-27-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	510	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