BDBM50072583 (2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-carbonyl)-2,2-dimethyl-propyl]-3-isobutyl-succinamide::CHEMBL321180

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

InChI Key: InChIKey=QVHQLFLTQMCYLJ-MDASCCDHSA-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 = 50072583   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50072583 ((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...) Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/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	0.260	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
Matrilysin (Homo sapiens (Human))	BDBM50072583 ((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...) Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/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	0.300	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072583 ((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...) Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/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	0.380	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50072583 ((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...) Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/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