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PubMed code 11934595

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
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)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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
Bone morphogenetic protein 1


(Homo sapiens)
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)
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)
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)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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)
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)
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)
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)
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)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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)
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)
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)
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)
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)
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)
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)
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)
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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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)
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)
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)
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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n/an/a 53n/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)
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)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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)
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
Bone morphogenetic protein 1


(Homo sapiens)
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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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)
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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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)
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)
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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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)
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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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)
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)
BDBM50111844
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(3-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(C)c1[N+]([O-])=O)[C@H](C)C(=O)NO
Show InChI InChI=1S/C18H21N3O7S/c1-12-5-4-6-14(17(12)21(24)25)11-20(13(2)18(22)19-23)29(26,27)16-9-7-15(28-3)8-10-16/h4-10,13,23H,11H2,1-3H3,(H,19,22)/t13-/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)
BDBM50111833
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-(5-methyl-isoxa...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(C)on1)[C@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-13-10-14(20-27-13)12-21(18(19(22)23)11-16-4-3-9-28-16)29(24,25)17-7-5-15(26-2)6-8-17/h3-10,18H,11-12H2,1-2H3,(H,22,23)/t18-/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)
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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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)
BDBM50111831
PNG
((R)-2-[(7-Allyloxy-naphthalen-2-ylmethyl)-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2ccc(OCC=C)cc2c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-4-13-32-22-8-7-19-6-5-18(14-20(19)15-22)16-26(17(2)24(27)25-28)33(29,30)23-11-9-21(31-3)10-12-23/h4-12,14-15,17,28H,1,13,16H2,2-3H3,(H,25,27)/t17-/m1/s1
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n/an/a 130n/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)
BDBM50111820
PNG
((R)-2-[(3,5-Difluoro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(F)cc(F)c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H18F2N2O5S/c1-11(17(22)20-23)21(10-12-7-13(18)9-14(19)8-12)27(24,25)16-5-3-15(26-2)4-6-16/h3-9,11,23H,10H2,1-2H3,(H,20,22)/t11-/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)
BDBM50111876
PNG
((R)-2-[(2-Fluoro-3-methyl-benzyl)-(4-methoxy-benze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(C)c1F)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C22H23FN2O5S2/c1-15-5-3-6-16(21(15)23)14-25(20(22(26)24-27)13-18-7-4-12-31-18)32(28,29)19-10-8-17(30-2)9-11-19/h3-12,20,27H,13-14H2,1-2H3,(H,24,26)/t20-/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)
BDBM50111812
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2-py...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cccc1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C16H21N3O5S/c1-13(16(20)17-21)19(12-11-18-9-3-4-10-18)25(22,23)15-7-5-14(24-2)6-8-15/h3-10,13,21H,11-12H2,1-2H3,(H,17,20)/t13-/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)
BDBM50111819
PNG
((R)-2-[(2-Chloro-thiazol-5-ylmethyl)-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cnc(Cl)s1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C14H16ClN3O5S2/c1-9(13(19)17-20)18(8-11-7-16-14(15)24-11)25(21,22)12-5-3-10(23-2)4-6-12/h3-7,9,20H,8H2,1-2H3,(H,17,19)/t9-/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)
BDBM50111811
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2,4,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(F)c(F)cc1F)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H19F3N2O5S2/c1-31-14-4-6-16(7-5-14)33(29,30)26(12-13-9-18(23)19(24)11-17(13)22)20(21(27)25-28)10-15-3-2-8-32-15/h2-9,11,20,28H,10,12H2,1H3,(H,25,27)/t20-/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)
BDBM50111862
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-vi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(C=C)cc1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H24N2O5S2/c1-3-17-6-8-18(9-7-17)16-25(22(23(26)24-27)15-20-5-4-14-31-20)32(28,29)21-12-10-19(30-2)11-13-21/h3-14,22,27H,1,15-16H2,2H3,(H,24,26)/t22-/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)
BDBM50111869
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-(4-methoxy-2,3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC)c(C)c1C)[C@H](C)C(O)=O
Show InChI InChI=1S/C20H25NO6S/c1-13-14(2)19(27-5)11-6-16(13)12-21(15(3)20(22)23)28(24,25)18-9-7-17(26-4)8-10-18/h6-11,15H,12H2,1-5H3,(H,22,23)/t15-/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)
BDBM50111846
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES CCCCN(C)C(=N)NCCCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H38N4O7S/c1-4-5-16-30(2)27(28)29-15-7-6-8-23(26(32)33)31(18-20-9-14-24-25(17-20)38-19-37-24)39(34,35)22-12-10-21(36-3)11-13-22/h9-14,17,23H,4-8,15-16,18-19H2,1-3H3,(H2,28,29)(H,32,33)/t23-/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)
BDBM50111864
PNG
(4-{[((R)-1-Carboxy-2-thiophen-2-yl-ethyl)-(4-metho...)
Show SMILES COC(=O)c1ccc(CN([C@H](Cc2cccs2)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H23NO7S2/c1-30-18-9-11-20(12-10-18)33(28,29)24(21(22(25)26)14-19-4-3-13-32-19)15-16-5-7-17(8-6-16)23(27)31-2/h3-13,21H,14-15H2,1-2H3,(H,25,26)/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)
BDBM50111823
PNG
((R)-2-[(3,5-Bis-trifluoromethyl-benzyl)-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H18F6N2O5S/c1-11(17(28)26-29)27(33(30,31)16-5-3-15(32-2)4-6-16)10-12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h3-9,11,29H,10H2,1-2H3,(H,26,28)/t11-/m1/s1
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n/an/a 220n/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)
BDBM50111866
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(6-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2cc(C)ccc2c1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C22H24N2O5S/c1-15-4-6-19-13-17(5-7-18(19)12-15)14-24(16(2)22(25)23-26)30(27,28)21-10-8-20(29-3)9-11-21/h4-13,16,26H,14H2,1-3H3,(H,23,25)/t16-/m1/s1
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n/an/a 220n/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)
BDBM50111863
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC)c(C)c1C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H26N2O6S/c1-13-14(2)19(28-5)11-6-16(13)12-22(15(3)20(23)21-24)29(25,26)18-9-7-17(27-4)8-10-18/h6-11,15,24H,12H2,1-5H3,(H,21,23)/t15-/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)
BDBM50111827
PNG
((R)-2-[(3-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(Br)c1)[C@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C21H20BrNO5S2/c1-28-17-7-9-19(10-8-17)30(26,27)23(14-15-4-2-5-16(22)12-15)20(21(24)25)13-18-6-3-11-29-18/h2-12,20H,13-14H2,1H3,(H,24,25)/t20-/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)
BDBM50111879
PNG
((R)-N-Hydroxy-2-[(4-isopropyl-benzyl)-(4-methoxy-b...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)17-7-5-16(6-8-17)13-22(15(3)20(23)21-24)28(25,26)19-11-9-18(27-4)10-12-19/h5-12,14-15,24H,13H2,1-4H3,(H,21,23)/t15-/m1/s1
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n/an/a 230n/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)
BDBM50111818
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(5-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(C)on1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C15H19N3O6S/c1-10-8-12(17-24-10)9-18(11(2)15(19)16-20)25(21,22)14-6-4-13(23-3)5-7-14/h4-8,11,20H,9H2,1-3H3,(H,16,19)/t11-/m1/s1
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n/an/a 230n/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)
BDBM50111851
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)=O)cc1
Show InChI InChI=1S/C26H27NO8S2/c1-32-20-6-3-18(4-7-20)15-36-16-23(26(28)29)27(14-19-5-12-24-25(13-19)35-17-34-24)37(30,31)22-10-8-21(33-2)9-11-22/h3-13,23H,14-17H2,1-2H3,(H,28,29)/t23-/m1/s1
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n/an/a 250n/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)
BDBM50111874
PNG
((R)-2-[(3-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(Br)c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H21BrN2O5S2/c1-29-17-7-9-19(10-8-17)31(27,28)24(14-15-4-2-5-16(22)12-15)20(21(25)23-26)13-18-6-3-11-30-18/h2-12,20,26H,13-14H2,1H3,(H,23,25)/t20-/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)
BDBM50111852
PNG
((R)-2-[(3-Iodo-benzyl)-(4-methoxy-benzenesulfonyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(I)c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C17H18INO5S/c1-12(17(20)21)19(11-13-4-3-5-14(18)10-13)25(22,23)16-8-6-15(24-2)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
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n/an/a 280n/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)
BDBM50111872
PNG
((R)-2-[(7-Allyloxy-naphthalen-2-ylmethyl)-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2ccc(OCC=C)cc2c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C28H28N2O6S2/c1-3-14-36-24-9-8-21-7-6-20(16-22(21)17-24)19-30(27(28(31)29-32)18-25-5-4-15-37-25)38(33,34)26-12-10-23(35-2)11-13-26/h3-13,15-17,27,32H,1,14,18-19H2,2H3,(H,29,31)/t27-/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)
BDBM50111847
PNG
((R)-2-[(4-Isopropyl-benzyl)-(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(C)C)[C@H](C)C(O)=O
Show InChI InChI=1S/C20H25NO5S/c1-14(2)17-7-5-16(6-8-17)13-21(15(3)20(22)23)27(24,25)19-11-9-18(26-4)10-12-19/h5-12,14-15H,13H2,1-4H3,(H,22,23)/t15-/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)
BDBM50111832
PNG
((R)-N-Hydroxy-2-[(4-iodo-benzyl)-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(I)cc1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H21IN2O5S2/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 360n/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)
BDBM50111813
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](COCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H25NO8S/c1-31-20-8-10-21(11-9-20)35(29,30)26(14-19-7-12-23-24(13-19)34-17-33-23)22(25(27)28)16-32-15-18-5-3-2-4-6-18/h2-13,22H,14-17H2,1H3,(H,27,28)/t22-/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)
BDBM50111875
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-(3-methyl-2-nit...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(C)c1[N+]([O-])=O)[C@H](C)C(O)=O
Show InChI InChI=1S/C18H20N2O7S/c1-12-5-4-6-14(17(12)20(23)24)11-19(13(2)18(21)22)28(25,26)16-9-7-15(27-3)8-10-16/h4-10,13H,11H2,1-3H3,(H,21,22)/t13-/m1/s1
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n/an/a 380n/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)
BDBM50111806
PNG
((R)-2-[(3-Chloro-benzyl)-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H21ClN2O5S2/c1-29-17-7-9-19(10-8-17)31(27,28)24(14-15-4-2-5-16(22)12-15)20(21(25)23-26)13-18-6-3-11-30-18/h2-12,20,26H,13-14H2,1H3,(H,23,25)/t20-/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)
BDBM50111826
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-[1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1cnns1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H22N4O5S3/c1-32-18-8-10-20(11-9-18)35(30,31)27(21(23(28)25-29)13-19-3-2-12-33-19)15-16-4-6-17(7-5-16)22-14-24-26-34-22/h2-12,14,21,29H,13,15H2,1H3,(H,25,28)/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)
BDBM50111838
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](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H20Cl2N2O5S2/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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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)
BDBM50111834
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)OC1CCCCC1)C(O)=O
Show InChI InChI=1S/C26H31NO9S/c1-33-19-8-10-21(11-9-19)37(31,32)27(16-18-7-13-23-24(15-18)35-17-34-23)22(26(29)30)12-14-25(28)36-20-5-3-2-4-6-20/h7-11,13,15,20,22H,2-6,12,14,16-17H2,1H3,(H,29,30)/t22-/m1/s1
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n/an/a 470n/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)
BDBM50111828
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1ccco1)C(O)=O
Show InChI InChI=1S/C22H21NO8S/c1-28-16-5-7-18(8-6-16)32(26,27)23(19(22(24)25)12-17-3-2-10-29-17)13-15-4-9-20-21(11-15)31-14-30-20/h2-11,19H,12-14H2,1H3,(H,24,25)/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)
BDBM50111868
PNG
((R)-2-[(4-Bromo-2-fluoro-benzyl)-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)[C@H](C)C(O)=O
Show InChI InChI=1S/C17H17BrFNO5S/c1-11(17(21)22)20(10-12-3-4-13(18)9-16(12)19)26(23,24)15-7-5-14(25-2)6-8-15/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1
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n/an/a 490n/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)
BDBM50111814
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC)c(C)c1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H26N2O6S2/c1-16-13-17(6-11-22(16)31-3)15-25(21(23(26)24-27)14-19-5-4-12-32-19)33(28,29)20-9-7-18(30-2)8-10-20/h4-13,21,27H,14-15H2,1-3H3,(H,24,26)/t21-/m1/s1
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n/an/a 490n/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)
BDBM50111804
PNG
((R)-2-[(3,5-Bis-trifluoromethyl-benzyl)-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H20F6N2O5S2/c1-36-17-4-6-19(7-5-17)38(34,35)31(20(21(32)30-33)12-18-3-2-8-37-18)13-14-9-15(22(24,25)26)11-16(10-14)23(27,28)29/h2-11,20,33H,12-13H2,1H3,(H,30,32)/t20-/m1/s1
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n/an/a 590n/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)
BDBM50111809
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1ccncc1)C(O)=O
Show InChI InChI=1S/C23H22N2O7S/c1-30-18-3-5-19(6-4-18)33(28,29)25(14-17-2-7-21-22(13-17)32-15-31-21)20(23(26)27)12-16-8-10-24-11-9-16/h2-11,13,20H,12,14-15H2,1H3,(H,26,27)/t20-/m1/s1
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n/an/a 592n/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)
BDBM50111870
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2-py...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cccc1)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C20H23N3O5S2/c1-28-16-6-8-18(9-7-16)30(26,27)23(13-12-22-10-2-3-11-22)19(20(24)21-25)15-17-5-4-14-29-17/h2-11,14,19,25H,12-13,15H2,1H3,(H,21,24)/t19-/m1/s1
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n/an/a 610n/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)
BDBM50111877
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1ccc(Br)s1)C(O)=O
Show InChI InChI=1S/C22H20BrNO7S2/c1-29-15-3-6-17(7-4-15)33(27,28)24(12-14-2-8-19-20(10-14)31-13-30-19)18(22(25)26)11-16-5-9-21(23)32-16/h2-10,18H,11-13H2,1H3,(H,25,26)/t18-/m1/s1
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n/an/a 670n/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)
BDBM50111829
PNG
((R)-2-[(2,4-Dichloro-benzyl)-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1cccs1)C(=O)NO
Show InChI InChI=1S/C21H20Cl2N2O5S2/c1-30-16-6-8-18(9-7-16)32(28,29)25(13-14-4-5-15(22)11-19(14)23)20(21(26)24-27)12-17-3-2-10-31-17/h2-11,20,27H,12-13H2,1H3,(H,24,26)/t20-/m1/s1
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n/an/a 860n/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
* indicates data uncertainty>20%