BDBM19577 (2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide::arylaminoethyl amide, 15

SMILES: COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1

InChI Key: InChIKey=PRGVGZFPDSRIPJ-NDEPHWFRSA-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 = 19577   

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))	BDBM19577 ((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 |r| Show InChI InChI=1S/C31H40N6O3/c1-21-19-22(2)35-31(34-21)36-26-11-9-24(10-12-26)29(38)37-28(20-23-7-5-4-6-8-23)30(39)33-18-17-32-25-13-15-27(40-3)16-14-25/h9-16,19,23,28,32H,4-8,17-18,20H2,1-3H3,(H,33,39)(H,37,38)(H,34,35,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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))	BDBM19577 ((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 |r| Show InChI InChI=1S/C31H40N6O3/c1-21-19-22(2)35-31(34-21)36-26-11-9-24(10-12-26)29(38)37-28(20-23-7-5-4-6-8-23)30(39)33-18-17-32-25-13-15-27(40-3)16-14-25/h9-16,19,23,28,32H,4-8,17-18,20H2,1-3H3,(H,33,39)(H,37,38)(H,34,35,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	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))	BDBM19577 ((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 |r| Show InChI InChI=1S/C31H40N6O3/c1-21-19-22(2)35-31(34-21)36-26-11-9-24(10-12-26)29(38)37-28(20-23-7-5-4-6-8-23)30(39)33-18-17-32-25-13-15-27(40-3)16-14-25/h9-16,19,23,28,32H,4-8,17-18,20H2,1-3H3,(H,33,39)(H,37,38)(H,34,35,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	438	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