BDBM50031770 (R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*4*-hydroxy-2-[4-(4-pentyl-phenoxy)-butyl]-succinamide::CHEMBL419301

SMILES: CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1

InChI Key: InChIKey=AILNNKVMFUWMQL-NFBKMPQASA-N

Data: 5 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 5 hits for monomerid = 50031770   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50031770 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-9				Bioorg Med Chem Lett 5: 349-352 (1995) Article DOI: 10.1016/0960-894X(95)00033-P BindingDB Entry DOI: 10.7270/Q2DR2VG9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50031770 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory potency against human stromelysin, MMP-3				J Med Chem 38: 2570-81 (1995) BindingDB Entry DOI: 10.7270/Q2GM86B5
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50031770 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3				Bioorg Med Chem Lett 5: 349-352 (1995) Article DOI: 10.1016/0960-894X(95)00033-P BindingDB Entry DOI: 10.7270/Q2DR2VG9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50031770 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human fibroblast collagenase, matrix metalloproteinase-1				Bioorg Med Chem Lett 5: 349-352 (1995) Article DOI: 10.1016/0960-894X(95)00033-P BindingDB Entry DOI: 10.7270/Q2DR2VG9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50031770 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory potency against human fibroblast collagenase, MMP-1				J Med Chem 38: 2570-81 (1995) BindingDB Entry DOI: 10.7270/Q2GM86B5
					More data for this Ligand-Target Pair