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BDBM50129204 CHEMBL65208::N-{2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-2-hydroxycarbamoyl-ethyl}-terephthalamic acid methyl ester

SMILES: COC(=O)c1ccc(cc1)C(=O)NC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=ZETAZOVACDTDQK-JOCHJYFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129204   
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)
BDBM50129204
PNG
(CHEMBL65208 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-((...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)NC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C27H27N3O10S/c1-37-20-8-10-21(11-9-20)41(35,36)30(15-17-3-12-23-24(13-17)40-16-39-23)22(26(32)29-34)14-28-25(31)18-4-6-19(7-5-18)27(33)38-2/h3-13,22,34H,14-16H2,1-2H3,(H,28,31)(H,29,32)/t22-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
7n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair