BDBM50402511 CHEMBL2204802

SMILES: COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1

InChI Key: InChIKey=HTYBLKDBXIVZAV-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 = 50402511   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50402511 (CHEMBL2204802) Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1 Show InChI InChI=1S/C19H24N4O6S/c1-29-16-6-2-14(3-7-16)10-12-23(13-11-18(24)21-25)30(27,28)17-8-4-15(5-9-17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FibroGen Inc. Curated by ChEMBL					Assay Description Inhibition of para-amino phenylmercuric acetate-activated MMP1 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay				Bioorg Med Chem Lett 22: 7397-401 (2012) Article DOI: 10.1016/j.bmcl.2012.10.067 BindingDB Entry DOI: 10.7270/Q22808SM
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50402511 (CHEMBL2204802) Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1 Show InChI InChI=1S/C19H24N4O6S/c1-29-16-6-2-14(3-7-16)10-12-23(13-11-18(24)21-25)30(27,28)17-8-4-15(5-9-17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
FibroGen Inc. Curated by ChEMBL					Assay Description Inhibition of PCP after 1 hr by fluorescence assay				Bioorg Med Chem Lett 22: 7397-401 (2012) Article DOI: 10.1016/j.bmcl.2012.10.067 BindingDB Entry DOI: 10.7270/Q22808SM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50402511 (CHEMBL2204802) Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1 Show InChI InChI=1S/C19H24N4O6S/c1-29-16-6-2-14(3-7-16)10-12-23(13-11-18(24)21-25)30(27,28)17-8-4-15(5-9-17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FibroGen Inc. Curated by ChEMBL					Assay Description Inhibition of para-amino phenylmercuric acetate-activated MMP2 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay				Bioorg Med Chem Lett 22: 7397-401 (2012) Article DOI: 10.1016/j.bmcl.2012.10.067 BindingDB Entry DOI: 10.7270/Q22808SM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50402511 (CHEMBL2204802) Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1 Show InChI InChI=1S/C19H24N4O6S/c1-29-16-6-2-14(3-7-16)10-12-23(13-11-18(24)21-25)30(27,28)17-8-4-15(5-9-17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FibroGen Inc. Curated by ChEMBL					Assay Description Inhibition of para-amino phenylmercuric acetate-activated MMP9 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay				Bioorg Med Chem Lett 22: 7397-401 (2012) Article DOI: 10.1016/j.bmcl.2012.10.067 BindingDB Entry DOI: 10.7270/Q22808SM
					More data for this Ligand-Target Pair