BDBM50283710 (R)-N*1*-[(S)-2-Cyclohexyl-1-(4-morpholin-4-yl-butylcarbamoyl)-ethyl]-N*4*-hydroxy-2-(3-p-tolyl-propyl)-succinamide::CHEMBL94114

SMILES: Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1

InChI Key: InChIKey=UVOFCKSSQUNXIZ-IZLXSDGUSA-N

Data: 3 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 3 hits for monomerid = 50283710   

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))	BDBM50283710 ((R)-N*1*-[(S)-2-Cyclohexyl-1-(4-morpholin-4-yl-but...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H50N4O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(36)34-39)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-35-18-20-40-21-19-35/h12-15,26-28,39H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,34,36)/t27-,28+/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	0.0200	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))	BDBM50283710 ((R)-N*1*-[(S)-2-Cyclohexyl-1-(4-morpholin-4-yl-but...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H50N4O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(36)34-39)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-35-18-20-40-21-19-35/h12-15,26-28,39H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,34,36)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.60	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50283710 ((R)-N*1*-[(S)-2-Cyclohexyl-1-(4-morpholin-4-yl-but...) Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H50N4O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(36)34-39)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-35-18-20-40-21-19-35/h12-15,26-28,39H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,34,36)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	642	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