BDBM50246798 CHEMBL452947::N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-(methylcarbamoyl)-ethylcarbamoyl]-5-methylhexanoyl}-N-4-phenoxybenzenesulfonylhydrazide

SMILES: CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=JUTPCQYEVUKCAU-MNNSJKJDSA-N

Data: 3 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 3 hits for monomerid = 50246798   

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-14 (MMP14) (Homo sapiens (Human))	BDBM50246798 (CHEMBL452947 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H37N5O6S/c1-21(2)17-22(31(39)35-29(32(40)33-3)18-23-20-34-28-12-8-7-11-27(23)28)19-30(38)36-37-44(41,42)26-15-13-25(14-16-26)43-24-9-5-4-6-10-24/h4-16,20-22,29,34,37H,17-19H2,1-3H3,(H,33,40)(H,35,39)(H,36,38)/t22-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 catalytic domain by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50246798 (CHEMBL452947 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H37N5O6S/c1-21(2)17-22(31(39)35-29(32(40)33-3)18-23-20-34-28-12-8-7-11-27(23)28)19-30(38)36-37-44(41,42)26-15-13-25(14-16-26)43-24-9-5-4-6-10-24/h4-16,20-22,29,34,37H,17-19H2,1-3H3,(H,33,40)(H,35,39)(H,36,38)/t22-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50246798 (CHEMBL452947 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H37N5O6S/c1-21(2)17-22(31(39)35-29(32(40)33-3)18-23-20-34-28-12-8-7-11-27(23)28)19-30(38)36-37-44(41,42)26-15-13-25(14-16-26)43-24-9-5-4-6-10-24/h4-16,20-22,29,34,37H,17-19H2,1-3H3,(H,33,40)(H,35,39)(H,36,38)/t22-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP1 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair