BDBM19576 (2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-{[4-(1H-1,2,4-triazol-1-yl)phenyl]formamido}propanamide::arylaminoethyl amide, 14

SMILES: COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1

InChI Key: InChIKey=KOLZVLRWUSMIPM-VWLOTQADSA-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 = 19576   

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))	BDBM19576 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1 |r| Show InChI InChI=1S/C27H34N6O3/c1-36-24-13-9-22(10-14-24)29-15-16-30-27(35)25(17-20-5-3-2-4-6-20)32-26(34)21-7-11-23(12-8-21)33-19-28-18-31-33/h7-14,18-20,25,29H,2-6,15-17H2,1H3,(H,30,35)(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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))	BDBM19576 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1 |r| Show InChI InChI=1S/C27H34N6O3/c1-36-24-13-9-22(10-14-24)29-15-16-30-27(35)25(17-20-5-3-2-4-6-20)32-26(34)21-7-11-23(12-8-21)33-19-28-18-31-33/h7-14,18-20,25,29H,2-6,15-17H2,1H3,(H,30,35)(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	303	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))	BDBM19576 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1 |r| Show InChI InChI=1S/C27H34N6O3/c1-36-24-13-9-22(10-14-24)29-15-16-30-27(35)25(17-20-5-3-2-4-6-20)32-26(34)21-7-11-23(12-8-21)33-19-28-18-31-33/h7-14,18-20,25,29H,2-6,15-17H2,1H3,(H,30,35)(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	718	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