BDBM113592 US8633196, 24::US9365529, 24

SMILES: CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO

InChI Key: InChIKey=IUVIWMVVODOSQU-MHZLTWQESA-N

Data: 8 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 8 hits for monomerid = 113592   

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))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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	86	n/a	n/a	n/a	n/a	7.4	37
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 have...				US Patent US8633196 (2014) BindingDB Entry DOI: 10.7270/Q2KK99FQ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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	86	n/a	n/a	n/a	n/a	7.4	37
GALDERMA RESEARCH & DEVLOPMENT 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 have...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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	16	n/a	n/a	n/a	n/a	7.4	37
GALDERMA RESEARCH & DEVLOPMENT 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 have...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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 & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/m0/s1	UniProtKB/SwissProt 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 & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/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	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
					More data for this Ligand-Target Pair