BDBM50203956 CHEMBL3971135

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O

InChI Key: InChIKey=CUKATAAPVFYVIL-QHCPKHFHSA-N

Data: 11 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 11 hits for monomerid = 50203956   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP12 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 as substrate measured after 40 mins by spectrofluor...				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50203956 (CHEMBL3971135) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(O)=O |r| Show InChI InChI=1S/C27H26N4O6S/c1-16(2)23(27(34)35)31-38(36,37)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-26(33)24-29-22-9-4-3-8-21(22)25(32)30-24/h3-14,16,23,31H,15H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair