BDBM113588 US8633196, 18::US9365529, 18

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=UWCNFKCKFSEPKW-PMERELPUSA-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 = 113588   

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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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	67	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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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	67	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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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	670	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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.25E+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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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 10 (Homo sapiens (Human))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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))	BDBM113588 (US8633196, 18 | US9365529, 18) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/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	849	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