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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Collagen-binding protein 1'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagen-binding protein 1


(Homo sapiens)
BDBM50162505
PNG
(6-Chloro-2-oxo-2,3-dihydro-2lambda*4*-benzo[1,2,3]...)
Show SMILES COC(=O)c1cc(Cl)cc2SS(=O)Nc12
Show InChI InChI=1S/C8H6ClNO3S2/c1-13-8(11)5-2-4(9)3-6-7(5)10-15(12)14-6/h2-3,10H,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hsp47 collagen chaperone in turbidity assay


Citation and Details
More data for this
Ligand-Target Pair
Collagen-binding protein 1


(Homo sapiens)
BDBM50162506
PNG
(2-[2-(4-Chloro-3-methyl-phenyl)-2-oxo-ethylsulfany...)
Show SMILES Cc1cc(ccc1Cl)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12ClN3O2S2/c1-10-7-11(4-5-13(10)19)14(23)9-26-18-21-16(15-3-2-6-25-15)12(8-20)17(24)22-18/h2-7H,9H2,1H3,(H,21,22,24)
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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hsp47 collagen chaperone in turbidity assay


Citation and Details
More data for this
Ligand-Target Pair
Collagen-binding protein 1


(Homo sapiens)
BDBM50162507
PNG
(4-[1-(4-Methoxy-phenyl)-2-nitro-ethylsulfanyl]-phe...)
Show SMILES COc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
Show InChI InChI=1S/C15H16N2O3S/c1-20-13-6-2-11(3-7-13)15(10-17(18)19)21-14-8-4-12(16)5-9-14/h2-9,15H,10,16H2,1H3
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PubMed
n/an/a 2.66E+4n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hsp47 collagen chaperone in turbidity assay


Citation and Details
More data for this
Ligand-Target Pair
Collagen-binding protein 1


(Homo sapiens)
BDBM50162504
PNG
(4-[1-(4-Fluoro-phenyl)-2-nitro-ethylsulfanyl]-phen...)
Show SMILES Nc1ccc(SC(C[N+]([O-])=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O2S/c15-11-3-1-10(2-4-11)14(9-17(18)19)20-13-7-5-12(16)6-8-13/h1-8,14H,9,16H2
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PC cid
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PubMed
n/an/a 2.66E+4n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hsp47 collagen chaperone in turbidity assay


Citation and Details
More data for this
Ligand-Target Pair