BDBM50062293 (R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-2-isobutyl-succinamide::CHEMBL420932

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

InChI Key: InChIKey=JBXOGQUSYPCSQK-KDOFPFPSSA-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 = 50062293   

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))	BDBM50062293 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.350	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))	BDBM50062293 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.440	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))	BDBM50062293 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.760	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