Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 113577   

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))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	21	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))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	21	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	64	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))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	64	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
Stromelysin-1 (Homo sapiens (Human))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	3.20E+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
Interstitial collagenase (Homo sapiens (Human))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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	5.10E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/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))	BDBM113577 (US8633196, 14 | US8633196, 5 | US9365529, 5) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H31N5O7S2/c1-18-15-19(22-5-3-4-6-23(22)27-18)17-37-20-7-9-21(10-8-20)39(35,36)26-16-24(25(31)28-32)29-11-13-30(14-12-29)38(2,33)34/h3-10,15,24,26,32H,11-14,16-17H2,1-2H3,(H,28,31)/t24-/m0/s1	PDB UniProtKB/SwissProt 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