BDBM256132 US9487462, 14

SMILES: OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1

InChI Key: InChIKey=XMNUPINRKOGEQZ-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 = 256132   

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))	BDBM256132 (US9487462, 14) Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1 Show InChI InChI=1S/C25H23N3O3S/c29-25(30)23-18-32-24(27-23)16-28(15-21-7-4-12-26-13-21)14-19-8-10-22(11-9-19)31-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM256132 (US9487462, 14) Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1 Show InChI InChI=1S/C25H23N3O3S/c29-25(30)23-18-32-24(27-23)16-28(15-21-7-4-12-26-13-21)14-19-8-10-22(11-9-19)31-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM256132 (US9487462, 14) Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1 Show InChI InChI=1S/C25H23N3O3S/c29-25(30)23-18-32-24(27-23)16-28(15-21-7-4-12-26-13-21)14-19-8-10-22(11-9-19)31-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM256132 (US9487462, 14) Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1 Show InChI InChI=1S/C25H23N3O3S/c29-25(30)23-18-32-24(27-23)16-28(15-21-7-4-12-26-13-21)14-19-8-10-22(11-9-19)31-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair