BindingDB PrimarySearch

BDBM50101500 (R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino)-1-oxopropan-2-yl)carbamoyl)-6-p-tolylhexanoic acid::(R)-3-[(S)-2-Cyclohexyl-1-(4-morpholin-4-yl-butylcarbamoyl)-ethylcarbamoyl]-6-p-tolyl-hexanoic acid::3-[2-Cyclohexyl-1-(4-morpholin-4-yl-butylcarbamoyl)-ethylcarbamoyl]-6-p-tolyl-hexanoic acid::CHEMBL307027

SMILES: Cc1ccc(CCC[C@H](CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1

InChI Key: InChIKey=RGTVFBJQARSWHO-IZLXSDGUSA-N

Data: 7 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50101500
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	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 was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	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-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	358	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 was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.50E+4	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 was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
Pomona College Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	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
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair