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BDBM50130128 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid (3-methoxy-phenyl)-amide::CHEMBL263240

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)Nc1cccc(OC)c1)C(=O)NO

InChI Key: InChIKey=ITUNKBBDWXXSDR-HHHXNRCGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130128   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50130128
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)Nc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C32H37N5O10S/c1-44-24-7-9-26(10-8-24)48(42,43)37(20-22-6-12-28-29(18-22)47-21-46-28)27(31(39)34-41)11-13-30(38)35-14-16-36(17-15-35)32(40)33-23-4-3-5-25(19-23)45-2/h3-10,12,18-19,27,41H,11,13-17,20-21H2,1-2H3,(H,33,40)(H,34,39)/t27-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
105n/an/an/an/an/an/an/an/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