BDBM50062306 (R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-morpholin-4-yl-propylcarbamoyl)-ethyl]-2-isobutyl-succinamide::CHEMBL422948

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=YIEJUKBUYFONED-XXBNENTESA-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 = 50062306   

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))	BDBM50062306 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	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))	BDBM50062306 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/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	0.710	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))	BDBM50062306 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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