BDBM175076 US9115102, Ex2

SMILES: CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO

InChI Key: InChIKey=GHBQSNPRMVUGFE-KRWDZBQOSA-N

Data: 7 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 7 hits for monomerid = 175076   

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))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	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))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.31E+3	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))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	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 (ADAM9) (Homo sapiens (Human))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.25E+3	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 (ADAM10) (Homo sapiens (Human))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	942	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))	BDBM175076 (US9115102, Ex2) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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