BDBM19574 (2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenoxyphenyl)formamido]propanamide::arylaminoethyl amide, 12

SMILES: COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1

InChI Key: InChIKey=FNHJCRXTPKRSGT-LJAQVGFWSA-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 = 19574   

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
Cathepsin S (Homo sapiens (Human))	BDBM19574 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19574 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19574 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
					More data for this Ligand-Target Pair