BDBM50101529 (R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamide::CHEMBL77754::N*1*-(2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamide

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=ABTPKZSVAHUDFA-YADHBBJMSA-N

Data: 6 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 6 hits for monomerid = 50101529   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/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	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the gelatinase-A enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the collagenase enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-1				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the stromelysin enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101529 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(17-23(29)28-32)24(30)27-22(16-20-11-7-4-8-12-20)25(31)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,32H,4,7-8,11-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-3				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair