null

SMILES: ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=PWHWIWBGOFSUOR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 175093   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	7.4	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM175093 (US9115102, Ex27) Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...				US Patent US9115102 (2015) BindingDB Entry DOI: 10.7270/Q21V5CRV
					More data for this Ligand-Target Pair