BDBM50188297 (R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-thiazol-4-yl]-biphenyl-3-yl}-pentanoic acid cyanomethyl-amide::CHEMBL213930

SMILES: CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1

InChI Key: InChIKey=HLFQRRCBSFVYFQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50188297   

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 K (Homo sapiens (Human))	BDBM50188297 ((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50188297 ((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50188297 ((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50188297 ((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN
					More data for this Ligand-Target Pair