BDBM50130110 (R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-pentanedioic acid 5-[(2-cyano-ethyl)-pyridin-3-ylmethyl-amide] 1-hydroxyamide::CHEMBL80704

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(CCC#N)Cc1cccnc1)C(=O)NO

InChI Key: InChIKey=RSRSXGDEUHJYRK-RUZDIDTESA-N

Data: 1 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 1 hit for monomerid = 50130110   

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
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130110 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(CCC#N)Cc1cccnc1)C(=O)NO Show InChI InChI=1S/C29H31N5O8S/c1-40-23-6-8-24(9-7-23)43(38,39)34(19-21-5-11-26-27(16-21)42-20-41-26)25(29(36)32-37)10-12-28(35)33(15-3-13-30)18-22-4-2-14-31-17-22/h2,4-9,11,14,16-17,25,37H,3,10,12,15,18-20H2,1H3,(H,32,36)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair