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BDBM50129218 4-[({3-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-3-hydroxycarbamoyl-propylcarbamoyl}-methyl)-amino]-cyclohexanecarboxylic acid ethyl ester::CHEMBL67340

SMILES: CCOC(=O)C1CCC(CC1)NCC(=O)NCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=DAMJVARUTCXXBG-XUNZJTMSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129218   
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))		BDBM50129218
PNG
(4-[({3-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy...)
Show SMILES CCOC(=O)C1CCC(CC1)NCC(=O)NCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |wD:18.19,(-.09,-11.62,;1.26,-10.86,;2.57,-11.65,;3.93,-10.9,;5.25,-11.69,;3.94,-9.36,;5.28,-8.59,;5.3,-7.05,;3.97,-6.28,;2.64,-7.03,;2.62,-8.56,;4,-4.74,;5.34,-3.97,;5.35,-2.43,;6.7,-1.69,;4.04,-1.66,;4.04,-.12,;5.37,.65,;5.37,2.19,;6.7,2.96,;6.7,4.5,;8.03,5.27,;9.36,4.5,;10.71,5.27,;10.69,6.81,;11.84,7.84,;11.22,9.24,;9.69,9.08,;9.36,7.58,;8.03,6.81,;8.03,2.19,;8.8,3.54,;7.26,.86,;9.36,1.42,;10.69,2.19,;12.02,1.42,;12.02,-.14,;13.35,-.92,;14.68,-.15,;10.69,-.91,;9.36,-.12,;4.04,2.96,;2.71,2.19,;4.04,4.5,;2.71,5.27,)|
Show InChI InChI=1S/C30H40N4O10S/c1-3-42-30(37)21-5-7-22(8-6-21)32-17-28(35)31-15-14-25(29(36)33-38)34(18-20-4-13-26-27(16-20)44-19-43-26)45(39,40)24-11-9-23(41-2)10-12-24/h4,9-13,16,21-22,25,32,38H,3,5-8,14-15,17-19H2,1-2H3,(H,31,35)(H,33,36)/t21?,22?,25-/m1/s1
PDB
MMDB

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PubMed
 470n/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

Bioorg Med Chem Lett 13: 2101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WQS
More data for this
Ligand-Target Pair