BDBM50101510 (R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-[3-(4-trifluoromethyl-phenyl)-propyl]-succinamide::CHEMBL76519::N*1*-(2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-[3-(4-trifluoromethyl-phenyl)-propyl]-succinamide

SMILES: ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=YGJCNDHMYMIUBJ-VPUSJEBWSA-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 = 50101510   

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))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/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	0.300	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))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/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	0.300	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	90	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))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90.3	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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-1				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101510 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H40F3N3O4/c32-31(33,34)26-16-14-23(15-17-26)12-7-13-25(21-28(38)37-41)29(39)36-27(20-24-10-5-2-6-11-24)30(40)35-19-18-22-8-3-1-4-9-22/h1,3-4,8-9,14-17,24-25,27,41H,2,5-7,10-13,18-21H2,(H,35,40)(H,36,39)(H,37,38)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.00E+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 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