BDBM50072563 (2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indole-3-carbonyl)-2,2-dimethyl-propyl]-3-isobutyl-succinamide::CHEMBL111798

SMILES: CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C

InChI Key: InChIKey=AAPPTEGQHHRRCP-NJNPRVFISA-N

Data: 4 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 4 hits for monomerid = 50072563   

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
Matrilysin (Homo sapiens (Human))	BDBM50072563 ((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 7				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50072563 ((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 3				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072563 ((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50072563 ((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair