BDBM50062331 (R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-2-isobutyl-succinamide::CHEMBL306524

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1

InChI Key: InChIKey=SMZZZWJJIWYSNC-DVECYGJZSA-N

Data: 3 KI

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 = 50062331   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062331 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062331 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/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	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062331 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair