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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'broka' and Initial = 'ca'   
Target/Host
(Institution)
LigandTarget/Host
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111856
PNG
(CHEMBL21249 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C35H34N4O10S/c1-46-22-11-13-23(14-12-22)50(44,45)39(18-21-10-15-30-31(16-21)49-20-48-30)32(34(41)38-43)33(40)29(36)17-37-35(42)47-19-28-26-8-4-2-6-24(26)25-7-3-5-9-27(25)28/h2-16,28-29,32,43H,17-20,36H2,1H3,(H,37,42)(H,38,41)/t29?,32-/m1/s1
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n/an/a 0.0240n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111848
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111848
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50284330
PNG
(2-{3-[2-Benzo[b]thiophen-2-yl-3-(2,5-dioxo-2,5-dih...)
Show SMILES NC(=N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc12
Show InChI InChI=1S/C24H20N4O2S2/c25-24(26)31-11-5-10-28-17-8-3-2-7-15(17)21(16-13-20(29)27-23(16)30)22(28)19-12-14-6-1-4-9-18(14)32-19/h1-4,6-9,12-13H,5,10-11H2,(H3,25,26)(H,27,29,30)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta


Bioorg Med Chem Lett 5: 67-72 (1995)


Article DOI: 10.1016/0960-894X(94)00460-W
BindingDB Entry DOI: 10.7270/Q2ZG6S72
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102948
PNG
(CHEMBL279023 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)NO
Show InChI InChI=1S/C28H30ClN3O9S/c1-38-21-9-11-22(12-10-21)42(36,37)32(16-19-8-13-25-26(15-19)41-18-40-25)24(27(33)31-35)7-4-14-30-28(34)39-17-20-5-2-3-6-23(20)29/h2-3,5-6,8-13,15,24,35H,4,7,14,16-18H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111808
PNG
(CHEMBL282484 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C28H29ClN4O10S/c1-40-19-7-9-20(10-8-19)44(38,39)33(14-17-6-11-23-24(12-17)43-16-42-23)25(27(35)32-37)26(34)22(30)13-31-28(36)41-15-18-4-2-3-5-21(18)29/h2-12,22,25,37H,13-16,30H2,1H3,(H,31,36)(H,32,35)/t22?,25-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111840
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2-tr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H](C)C(=O)NO
Show InChI InChI=1S/C18H19F3N2O5S/c1-12(17(24)22-25)23(11-13-5-3-4-6-16(13)18(19,20)21)29(26,27)15-9-7-14(28-2)8-10-15/h3-10,12,25H,11H2,1-2H3,(H,22,24)/t12-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102988
PNG
(CHEMBL21486 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H31N3O9S/c1-37-22-10-12-23(13-11-22)41(35,36)31(17-21-9-14-25-26(16-21)40-19-39-25)24(27(32)30-34)8-5-15-29-28(33)38-18-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24,34H,5,8,15,17-19H2,1H3,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111842
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CC#C)C(O)=O
Show InChI InChI=1S/C20H19NO7S/c1-3-4-17(20(22)23)21(12-14-5-10-18-19(11-14)28-13-27-18)29(24,25)16-8-6-15(26-2)7-9-16/h1,5-11,17H,4,12-13H2,2H3,(H,22,23)/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50284330
PNG
(2-{3-[2-Benzo[b]thiophen-2-yl-3-(2,5-dioxo-2,5-dih...)
Show SMILES NC(=N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc12
Show InChI InChI=1S/C24H20N4O2S2/c25-24(26)31-11-5-10-28-17-8-3-2-7-15(17)21(16-13-20(29)27-23(16)30)22(28)19-12-14-6-1-4-9-18(14)32-19/h1-4,6-9,12-13H,5,10-11H2,(H3,25,26)(H,27,29,30)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 5: 67-72 (1995)


Article DOI: 10.1016/0960-894X(94)00460-W
BindingDB Entry DOI: 10.7270/Q2ZG6S72
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111854
PNG
(CHEMBL21237 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H30N4O10S/c1-39-20-8-10-21(11-9-20)43(37,38)32(15-19-7-12-23-24(13-19)42-17-41-23)25(27(34)31-36)26(33)22(29)14-30-28(35)40-16-18-5-3-2-4-6-18/h2-13,22,25,36H,14-17,29H2,1H3,(H,30,35)(H,31,34)/t22?,25-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111861
PNG
(CHEMBL281582 | {(R)-5-[Benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H33N3O9S/c1-38-23-11-13-24(14-12-23)42(36,37)32(18-22-10-15-26-27(17-22)41-20-40-26)25(28(33)31-35)9-5-6-16-30-29(34)39-19-21-7-3-2-4-8-21/h2-4,7-8,10-15,17,25,35H,5-6,9,16,18-20H2,1H3,(H,30,34)(H,31,33)/t25-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111858
PNG
(CHEMBL276883 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1Br
Show InChI InChI=1S/C28H29BrN4O10S/c1-40-19-7-9-20(10-8-19)44(38,39)33(14-17-6-11-23-24(12-17)43-16-42-23)25(27(35)32-37)26(34)22(30)13-31-28(36)41-15-18-4-2-3-5-21(18)29/h2-12,22,25,37H,13-16,30H2,1H3,(H,31,36)(H,32,35)/t22?,25-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151775
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-me...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111839
PNG
(CHEMBL277252 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCC=C
Show InChI InChI=1S/C24H28N4O10S/c1-3-10-36-24(31)26-12-18(25)22(29)21(23(30)27-32)28(13-15-4-9-19-20(11-15)38-14-37-19)39(33,34)17-7-5-16(35-2)6-8-17/h3-9,11,18,21,32H,1,10,12-14,25H2,2H3,(H,26,31)(H,27,30)/t18?,21-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111845
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](COC(C)(C)C)C(=O)NO
Show InChI InChI=1S/C22H28N2O8S/c1-22(2,3)32-13-18(21(25)23-26)24(12-15-5-10-19-20(11-15)31-14-30-19)33(27,28)17-8-6-16(29-4)7-9-17/h5-11,18,26H,12-14H2,1-4H3,(H,23,25)/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102969
PNG
(CHEMBL21073 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1Br)C(=O)NO
Show InChI InChI=1S/C28H30BrN3O9S/c1-38-21-9-11-22(12-10-21)42(36,37)32(16-19-8-13-25-26(15-19)41-18-40-25)24(27(33)31-35)7-4-14-30-28(34)39-17-20-5-2-3-6-23(20)29/h2-3,5-6,8-13,15,24,35H,4,7,14,16-18H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111857
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C22H21NO7S2/c1-28-16-5-7-18(8-6-16)32(26,27)23(19(22(24)25)12-17-3-2-10-31-17)13-15-4-9-20-21(11-15)30-14-29-20/h2-11,19H,12-14H2,1H3,(H,24,25)/t19-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111815
PNG
(4-{(R)-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C27H34N2O9S/c1-27(2,3)38-26(32)28-13-11-19(12-14-28)24(25(30)31)29(16-18-5-10-22-23(15-18)37-17-36-22)39(33,34)21-8-6-20(35-4)7-9-21/h5-10,15,19,24H,11-14,16-17H2,1-4H3,(H,30,31)/t24-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111867
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cncn1Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H28N4O7S/c1-37-23-8-10-24(11-9-23)40(35,36)32(17-21-7-12-26-27(13-21)39-19-38-26)25(28(33)30-34)14-22-15-29-18-31(22)16-20-5-3-2-4-6-20/h2-13,15,18,25,34H,14,16-17,19H2,1H3,(H,30,33)/t25-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111805
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES CCN(CC)C(=N)NCCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C25H34N4O7S/c1-4-28(5-2)25(26)27-14-6-7-21(24(30)31)29(16-18-8-13-22-23(15-18)36-17-35-22)37(32,33)20-11-9-19(34-3)10-12-20/h8-13,15,21H,4-7,14,16-17H2,1-3H3,(H2,26,27)(H,30,31)/t21-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151760
PNG
(3-(4-Fluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111849
PNG
((R)-2-[(4-Chloro-3-nitro-benzyl)-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)c(c1)[N+]([O-])=O)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H18ClN3O7S/c1-11(17(22)19-23)20(10-12-3-8-15(18)16(9-12)21(24)25)29(26,27)14-6-4-13(28-2)5-7-14/h3-9,11,23H,10H2,1-2H3,(H,19,22)/t11-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111841
PNG
((S)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(CSC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1
Show InChI InChI=1S/C26H28N2O8S2/c1-33-20-6-3-18(4-7-20)15-37-16-23(26(29)27-30)28(14-19-5-12-24-25(13-19)36-17-35-24)38(31,32)22-10-8-21(34-2)9-11-22/h3-13,23,30H,14-17H2,1-2H3,(H,27,29)/t23-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111835
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C24H23N3O9S/c1-34-19-7-9-20(10-8-19)37(32,33)26(14-17-4-11-22-23(13-17)36-15-35-22)21(24(28)25-29)12-16-2-5-18(6-3-16)27(30)31/h2-11,13,21,29H,12,14-15H2,1H3,(H,25,28)/t21-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111824
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C40H36N4O7S/c1-49-34-18-20-35(21-19-34)52(47,48)44(26-29-17-22-37-38(23-29)51-28-50-37)36(39(45)42-46)24-33-25-41-27-43(33)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-23,25,27,36,46H,24,26,28H2,1H3,(H,42,45)/t36-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111822
PNG
((R)-2-[(4-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O5S/c1-12(17(21)19-22)20(11-13-3-5-14(18)6-4-13)26(23,24)16-9-7-15(25-2)8-10-16/h3-10,12,22H,11H2,1-2H3,(H,19,21)/t12-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111860
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(3-ph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1sccc1Oc1ccccc1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C21H22N2O6S2/c1-15(21(24)22-25)23(31(26,27)18-10-8-16(28-2)9-11-18)14-20-19(12-13-30-20)29-17-6-4-3-5-7-17/h3-13,15,25H,14H2,1-2H3,(H,22,24)/t15-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111843
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(C[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1
Show InChI InChI=1S/C25H26N2O8S/c1-32-19-6-3-17(4-7-19)13-22(25(28)26-29)27(15-18-5-12-23-24(14-18)35-16-34-23)36(30,31)21-10-8-20(33-2)9-11-21/h3-12,14,22,29H,13,15-16H2,1-2H3,(H,26,28)/t22-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111859
PNG
((S)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CSc1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H26N2O7S2/c1-17-3-8-20(9-4-17)35-15-22(25(28)26-29)27(14-18-5-12-23-24(13-18)34-16-33-23)36(30,31)21-10-6-19(32-2)7-11-21/h3-13,22,29H,14-16H2,1-2H3,(H,26,28)/t22-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111855
PNG
((R)-2-[(3,4-Dimethyl-thieno[2,3-b]thiophen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1sc2scc(C)c2c1C)[C@H](C)C(O)=O
Show InChI InChI=1S/C19H21NO5S3/c1-11-10-26-19-17(11)12(2)16(27-19)9-20(13(3)18(21)22)28(23,24)15-7-5-14(25-4)6-8-15/h5-8,10,13H,9H2,1-4H3,(H,21,22)/t13-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111873
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cn(C)cn1)C(=O)NO
Show InChI InChI=1S/C22H24N4O7S/c1-25-12-16(23-13-25)10-19(22(27)24-28)26(11-15-3-8-20-21(9-15)33-14-32-20)34(29,30)18-6-4-17(31-2)5-7-18/h3-9,12-13,19,28H,10-11,14H2,1-2H3,(H,24,27)/t19-/m1/s1
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Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111878
PNG
(CHEMBL21163 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OC(C)(C)C)C(=O)NO
Show InChI InChI=1S/C25H33N3O9S/c1-25(2,3)37-24(30)26-13-5-6-20(23(29)27-31)28(15-17-7-12-21-22(14-17)36-16-35-21)38(32,33)19-10-8-18(34-4)9-11-19/h7-12,14,20,31H,5-6,13,15-16H2,1-4H3,(H,26,30)(H,27,29)/t20-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111821
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C20H24N2O7S/c1-13(2)19(20(23)21-24)22(11-14-4-9-17-18(10-14)29-12-28-17)30(25,26)16-7-5-15(27-3)6-8-16/h4-10,13,19,24H,11-12H2,1-3H3,(H,21,23)/t19-/m1/s1
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Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111830
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(C)c(c1)[N+]([O-])=O)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C22H23N3O7S2/c1-15-5-6-16(12-20(15)25(28)29)14-24(21(22(26)23-27)13-18-4-3-11-33-18)34(30,31)19-9-7-17(32-2)8-10-19/h3-12,21,27H,13-14H2,1-2H3,(H,23,26)/t21-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111836
PNG
((R)-2-[(3,4-Dimethyl-thieno[2,3-b]thiophen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1sc2scc(C)c2c1C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H22N2O5S3/c1-11-10-27-19-17(11)12(2)16(28-19)9-21(13(3)18(22)20-23)29(24,25)15-7-5-14(26-4)6-8-15/h5-8,10,13,23H,9H2,1-4H3,(H,20,22)/t13-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111865
PNG
((R)-2-[(4-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H21BrN2O5S2/c1-29-17-8-10-19(11-9-17)31(27,28)24(14-15-4-6-16(22)7-5-15)20(21(25)23-26)13-18-3-2-12-30-18/h2-12,20,26H,13-14H2,1H3,(H,23,25)/t20-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151758
PNG
(3-(2-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-15(9-12-5-3-4-6-16(12)18)14-8-7-13(22(2,20)21)10-17(14)19-11/h3-8,10,19H,9H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111853
PNG
((R)-2-[(3,4-Difluoro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(F)c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H18F2N2O5S/c1-11(17(22)20-23)21(10-12-3-8-15(18)16(19)9-12)27(24,25)14-6-4-13(26-2)5-7-14/h3-9,11,23H,10H2,1-2H3,(H,20,22)/t11-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111871
PNG
((R)-2-[(3,4-Difluoro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(F)c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H20F2N2O5S2/c1-30-15-5-7-17(8-6-15)32(28,29)25(13-14-4-9-18(22)19(23)11-14)20(21(26)24-27)12-16-3-2-10-31-16/h2-11,20,27H,12-13H2,1H3,(H,24,26)/t20-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111810
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(SC)cc1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C18H22N2O5S2/c1-13(18(21)19-22)20(12-14-4-8-16(26-3)9-5-14)27(23,24)17-10-6-15(25-2)7-11-17/h4-11,13,22H,12H2,1-3H3,(H,19,21)/t13-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151763
PNG
(3-(4-Fluoro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16FNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111817
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-napht...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc2ccccc12)[C@H](C)C(=O)NO
Show InChI InChI=1S/C21H22N2O5S/c1-15(21(24)22-25)23(29(26,27)19-12-10-18(28-2)11-13-19)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15,25H,14H2,1-2H3,(H,22,24)/t15-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111837
PNG
((R)-2-[(3-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O5S/c1-12(17(21)19-22)20(11-13-4-3-5-14(18)10-13)26(23,24)16-8-6-15(25-2)7-9-16/h3-10,12,22H,11H2,1-2H3,(H,19,21)/t12-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111825
PNG
((R)-2-[(2,3-Difluoro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(F)c1F)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H20F2N2O5S2/c1-30-15-7-9-17(10-8-15)32(28,29)25(13-14-4-2-6-18(22)20(14)23)19(21(26)24-27)12-16-5-3-11-31-16/h2-11,19,27H,12-13H2,1H3,(H,24,26)/t19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111807
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(C)cc1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O5S2/c1-16-5-7-17(8-6-16)15-24(21(22(25)23-26)14-19-4-3-13-30-19)31(27,28)20-11-9-18(29-2)10-12-20/h3-13,21,26H,14-15H2,1-2H3,(H,23,25)/t21-/m1/s1
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Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111816
PNG
(4-{[((R)-1-Hydroxycarbamoyl-2-thiophen-2-yl-ethyl)...)
Show SMILES COC(=O)c1ccc(CN([C@H](Cc2cccs2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H24N2O7S2/c1-31-18-9-11-20(12-10-18)34(29,30)25(15-16-5-7-17(8-6-16)23(27)32-2)21(22(26)24-28)14-19-4-3-13-33-19/h3-13,21,28H,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-proteinase (PCP).


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151762
PNG
(3-(2,4-Dichloro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H13Cl2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50111850
PNG
((R)-2-[(3,4-Dichloro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H18Cl2N2O5S/c1-11(17(22)20-23)21(10-12-3-8-15(18)16(19)9-12)27(24,25)14-6-4-13(26-2)5-7-14/h3-9,11,23H,10H2,1-2H3,(H,20,22)/t11-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00117-8
BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair
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