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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50035148   
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))
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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
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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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
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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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102981
PNG
(CHEMBL303373 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1cccc(c1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C28H30N4O11S/c1-40-22-8-10-23(11-9-22)44(38,39)31(16-19-7-12-25-26(15-19)43-18-42-25)24(27(33)30-35)6-3-13-29-28(34)41-17-20-4-2-5-21(14-20)32(36)37/h2,4-5,7-12,14-15,24,35H,3,6,13,16-18H2,1H3,(H,29,34)(H,30,33)/t24-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102955
PNG
(CHEMBL63503 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C28H30N4O11S/c1-40-22-9-11-23(12-10-22)44(38,39)31(16-20-6-13-25-26(15-20)43-18-42-25)24(27(33)30-35)3-2-14-29-28(34)41-17-19-4-7-21(8-5-19)32(36)37/h4-13,15,24,35H,2-3,14,16-18H2,1H3,(H,29,34)(H,30,33)/t24-/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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102952
PNG
(CHEMBL303082 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCC(C)C)C(=O)NO
Show InChI InChI=1S/C25H33N3O9S/c1-17(2)15-35-25(30)26-12-4-5-21(24(29)27-31)28(14-18-6-11-22-23(13-18)37-16-36-22)38(32,33)20-9-7-19(34-3)8-10-20/h6-11,13,17,21,31H,4-5,12,14-16H2,1-3H3,(H,26,30)(H,27,29)/t21-/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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102987
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H34N4O8S/c1-39-23-10-12-24(13-11-23)42(37,38)33(19-22-9-14-26-27(18-22)41-20-40-26)25(28(34)32-36)8-5-16-30-29(35)31-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,18,25,36H,5,8,15-17,19-20H2,1H3,(H,32,34)(H2,30,31,35)/t25-/m1/s1
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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102953
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)NCc1cccc(C)c1)C(=O)NO
Show InChI InChI=1S/C29H34N4O8S/c1-20-5-3-6-21(15-20)17-31-29(35)30-14-4-7-25(28(34)32-36)33(18-22-8-13-26-27(16-22)41-19-40-26)42(37,38)24-11-9-23(39-2)10-12-24/h3,5-6,8-13,15-16,25,36H,4,7,14,17-19H2,1-2H3,(H,32,34)(H2,30,31,35)/t25-/m1/s1
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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102963
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-(3-phenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H24N4O6S/c1-29-15-9-11-16(12-10-15)30(27,28)23-17(18(24)22-26)8-5-13-20-19(25)21-14-6-3-2-4-7-14/h2-4,6-7,9-12,17,23,26H,5,8,13H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102951
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)NCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H32N4O8S/c1-38-22-10-12-23(13-11-22)41(36,37)32(18-21-9-14-25-26(16-21)40-19-39-25)24(27(33)31-35)8-5-15-29-28(34)30-17-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24,35H,5,8,15,17-19H2,1H3,(H,31,33)(H2,29,30,34)/t24-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102989
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-(2-thi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)NCCc1cccs1)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S2/c1-29-14-6-8-16(9-7-14)31(27,28)23-17(18(24)22-26)5-2-11-20-19(25)21-12-10-15-4-3-13-30-15/h3-4,6-9,13,17,23,26H,2,5,10-12H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102984
PNG
((R)-5-[3-(2-Chloro-phenyl)-ureido]-2-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)Nc1ccccc1Cl)C(=O)NO
Show InChI InChI=1S/C19H23ClN4O6S/c1-30-13-8-10-14(11-9-13)31(28,29)24-17(18(25)23-27)7-4-12-21-19(26)22-16-6-3-2-5-15(16)20/h2-3,5-6,8-11,17,24,27H,4,7,12H2,1H3,(H,23,25)(H2,21,22,26)/t17-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102950
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES CCCNC(=O)NCCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C24H32N4O8S/c1-3-12-25-24(30)26-13-4-5-20(23(29)27-31)28(15-17-6-11-21-22(14-17)36-16-35-21)37(32,33)19-9-7-18(34-2)8-10-19/h6-11,14,20,31H,3-5,12-13,15-16H2,1-2H3,(H,27,29)(H2,25,26,30)/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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102996
PNG
(CHEMBL62908 | N-{(R)-4-[Benzo[1,3]dioxol-5-ylmethy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H29N3O8S/c1-36-21-10-12-22(13-11-21)39(34,35)30(17-19-9-14-24-25(16-19)38-18-37-24)23(27(32)29-33)8-5-15-28-26(31)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,23,33H,5,8,15,17-18H2,1H3,(H,28,31)(H,29,32)/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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102962
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-((R)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N4O6S/c1-15(16-7-4-3-5-8-16)23-21(27)22-14-6-9-19(20(26)24-28)25-32(29,30)18-12-10-17(31-2)11-13-18/h3-5,7-8,10-13,15,19,25,28H,6,9,14H2,1-2H3,(H,24,26)(H2,22,23,27)/t15-,19-/m1/s1
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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102962
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-((R)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N4O6S/c1-15(16-7-4-3-5-8-16)23-21(27)22-14-6-9-19(20(26)24-28)25-32(29,30)18-12-10-17(31-2)11-13-18/h3-5,7-8,10-13,15,19,25,28H,6,9,14H2,1-2H3,(H,24,26)(H2,22,23,27)/t15-,19-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102974
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)NCc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C32H34N4O8S/c1-42-25-12-14-26(15-13-25)45(40,41)36(20-22-11-16-29-30(18-22)44-21-43-29)28(31(37)35-39)10-5-17-33-32(38)34-19-24-8-4-7-23-6-2-3-9-27(23)24/h2-4,6-9,11-16,18,28,39H,5,10,17,19-21H2,1H3,(H,35,37)(H2,33,34,38)/t28-/m1/s1
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Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102964
PNG
((R)-2-{3-[(R)-4-Hydroxycarbamoyl-4-(4-methoxy-benz...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C23H30N4O8S/c1-34-17-10-12-18(13-11-17)36(32,33)27-19(21(28)26-31)9-6-14-24-23(30)25-20(22(29)35-2)15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20,27,31H,6,9,14-15H2,1-2H3,(H,26,28)(H2,24,25,30)/t19-,20-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102972
PNG
((R)-5-[3-(3-Fluoro-phenyl)-ureido]-2-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)Nc1cccc(F)c1)C(=O)NO
Show InChI InChI=1S/C19H23FN4O6S/c1-30-15-7-9-16(10-8-15)31(28,29)24-17(18(25)23-27)6-3-11-21-19(26)22-14-5-2-4-13(20)12-14/h2,4-5,7-10,12,17,24,27H,3,6,11H2,1H3,(H,23,25)(H2,21,22,26)/t17-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102990
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-((R)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C25H30N4O6S/c1-17(21-10-5-8-18-7-3-4-9-22(18)21)27-25(31)26-16-6-11-23(24(30)28-32)29-36(33,34)20-14-12-19(35-2)13-15-20/h3-5,7-10,12-15,17,23,29,32H,6,11,16H2,1-2H3,(H,28,30)(H2,26,27,31)/t17-,23-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102971
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-(2-phe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H28N4O6S/c1-32-16-9-11-17(12-10-16)33(30,31)26-19(21(27)25-29)8-5-13-23-22(28)24-20-14-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-20,26,29H,5,8,13-14H2,1H3,(H,25,27)(H2,23,24,28)/t18-,19+,20+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102967
PNG
(CHEMBL307349 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES CCOC(=O)NCCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C23H29N3O9S/c1-3-33-23(28)24-12-4-5-19(22(27)25-29)26(14-16-6-11-20-21(13-16)35-15-34-20)36(30,31)18-9-7-17(32-2)8-10-18/h6-11,13,19,29H,3-5,12,14-15H2,1-2H3,(H,24,28)(H,25,27)/t19-/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 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102973
PNG
((R)-5-(3-Cyclohexyl-ureido)-2-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)NC1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H30N4O6S/c1-29-15-9-11-16(12-10-15)30(27,28)23-17(18(24)22-26)8-5-13-20-19(25)21-14-6-3-2-4-7-14/h9-12,14,17,23,26H,2-8,13H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102957
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-(3-o-toly...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)Nc1ccccc1C)C(=O)NO
Show InChI InChI=1S/C20H26N4O6S/c1-14-6-3-4-7-17(14)22-20(26)21-13-5-8-18(19(25)23-27)24-31(28,29)16-11-9-15(30-2)10-12-16/h3-4,6-7,9-12,18,24,27H,5,8,13H2,1-2H3,(H,23,25)(H2,21,22,26)/t18-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102978
PNG
((S)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-(2-phe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)NC1CC1c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H28N4O6S/c1-32-16-9-11-17(12-10-16)33(30,31)26-19(21(27)25-29)8-5-13-23-22(28)24-20-14-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-20,26,29H,5,8,13-14H2,1H3,(H,25,27)(H2,23,24,28)/t18?,19-,20?/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102959
PNG
(CHEMBL291863 | Cyclopropanecarboxylic acid [(R)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)C1CC1)C(=O)NO
Show InChI InChI=1S/C16H23N3O6S/c1-25-12-6-8-13(9-7-12)26(23,24)19-14(16(21)18-22)3-2-10-17-15(20)11-4-5-11/h6-9,11,14,19,22H,2-5,10H2,1H3,(H,17,20)(H,18,21)/t14-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102982
PNG
((R)-2-(4-Chloro-benzenesulfonylamino)-5-[3-((R)-1-...)
Show SMILES C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C20H25ClN4O5S/c1-14(15-6-3-2-4-7-15)23-20(27)22-13-5-8-18(19(26)24-28)25-31(29,30)17-11-9-16(21)10-12-17/h2-4,6-7,9-12,14,18,25,28H,5,8,13H2,1H3,(H,24,26)(H2,22,23,27)/t14-,18-/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102966
PNG
((R)-2-(4-Methoxy-benzenesulfonylamino)-5-(3-phenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)CCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O6S/c1-30-17-10-12-18(13-11-17)31(28,29)24-19(21(26)23-27)8-5-15-22-20(25)14-9-16-6-3-2-4-7-16/h2-4,6-7,10-13,19,24,27H,5,8-9,14-15H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102975
PNG
((R)-5-(3-Benzyl-thioureido)-2-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=S)NCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H26N4O5S2/c1-29-16-9-11-17(12-10-16)31(27,28)24-18(19(25)23-26)8-5-13-21-20(30)22-14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18,24,26H,5,8,13-14H2,1H3,(H,23,25)(H2,21,22,30)/t18-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102983
PNG
((R)-5-Isobutyrylamino-2-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C16H25N3O6S/c1-11(2)15(20)17-10-4-5-14(16(21)18-22)19-26(23,24)13-8-6-12(25-3)7-9-13/h6-9,11,14,19,22H,4-5,10H2,1-3H3,(H,17,20)(H,18,21)/t14-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102976
PNG
((S)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-((R)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H](C)c1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C25H30N4O6S/c1-17(21-10-5-8-18-7-3-4-9-22(18)21)27-25(31)26-16-6-11-23(24(30)28-32)29-36(33,34)20-14-12-19(35-2)13-15-20/h3-5,7-10,12-15,17,23,29,32H,6,11,16H2,1-2H3,(H,28,30)(H2,26,27,31)/t17-,23+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102980
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)[C@H](CCCNC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H26N4O6S/c1-24(31(28,29)17-12-10-16(30-2)11-13-17)18(19(25)23-27)9-6-14-21-20(26)22-15-7-4-3-5-8-15/h3-5,7-8,10-13,18,27H,6,9,14H2,1-2H3,(H,23,25)(H2,21,22,26)/t18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102995
PNG
(CHEMBL305129 | Cyclohexanecarboxylic acid [(R)-4-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)C1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H29N3O6S/c1-28-15-9-11-16(12-10-15)29(26,27)22-17(19(24)21-25)8-5-13-20-18(23)14-6-3-2-4-7-14/h9-12,14,17,22,25H,2-8,13H2,1H3,(H,20,23)(H,21,24)/t17-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102960
PNG
((R)-5-(3-Cyclohexyl-thioureido)-2-(4-methoxy-benze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=S)NC1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H30N4O5S2/c1-28-15-9-11-16(12-10-15)30(26,27)23-17(18(24)22-25)8-5-13-20-19(29)21-14-6-3-2-4-7-14/h9-12,14,17,23,25H,2-8,13H2,1H3,(H,22,24)(H2,20,21,29)/t17-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102956
PNG
((S)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-((R)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H](C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N4O6S/c1-15(16-7-4-3-5-8-16)23-21(27)22-14-6-9-19(20(26)24-28)25-32(29,30)18-12-10-17(31-2)11-13-18/h3-5,7-8,10-13,15,19,25,28H,6,9,14H2,1-2H3,(H,24,26)(H2,22,23,27)/t15-,19+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102992
PNG
((R)-2-(2-Chloro-benzenesulfonylamino)-5-[3-((R)-1-...)
Show SMILES C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C20H25ClN4O5S/c1-14(15-8-3-2-4-9-15)23-20(27)22-13-7-11-17(19(26)24-28)25-31(29,30)18-12-6-5-10-16(18)21/h2-6,8-10,12,14,17,25,28H,7,11,13H2,1H3,(H,24,26)(H2,22,23,27)/t14-,17-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102954
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)[C@H](CCCNC(=O)NC(C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N4O6S/c1-16(17-8-5-4-6-9-17)24-22(28)23-15-7-10-20(21(27)25-29)26(2)33(30,31)19-13-11-18(32-3)12-14-19/h4-6,8-9,11-14,16,20,29H,7,10,15H2,1-3H3,(H,25,27)(H2,23,24,28)/t16?,20-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102977
PNG
((R)-5-Benzenesulfonylamino-2-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNS(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H23N3O7S2/c1-28-14-9-11-16(12-10-14)30(26,27)21-17(18(22)20-23)8-5-13-19-29(24,25)15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19,21,23H,5,8,13H2,1H3,(H,20,22)/t17-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102965
PNG
((S)-5-(3-Cyclohexyl-ureido)-2-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)NC1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H30N4O6S/c1-29-15-9-11-16(12-10-15)30(27,28)23-17(18(24)22-26)8-5-13-20-19(25)21-14-6-3-2-4-7-14/h9-12,14,17,23,26H,2-8,13H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102979
PNG
((S)-5-[3-(3-Fluoro-phenyl)-ureido]-2-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)Nc1cccc(F)c1)C(=O)NO
Show InChI InChI=1S/C19H23FN4O6S/c1-30-15-7-9-16(10-8-15)31(28,29)24-17(18(25)23-27)6-3-11-21-19(26)22-14-5-2-4-13(20)12-14/h2,4-5,7-10,12,17,24,27H,3,6,11H2,1H3,(H,23,25)(H2,21,22,26)/t17-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102993
PNG
(CHEMBL65451 | [(R)-4-Hydroxycarbamoyl-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)NO
Show InChI InChI=1S/C17H27N3O7S/c1-17(2,3)27-16(22)18-11-5-6-14(15(21)19-23)20-28(24,25)13-9-7-12(26-4)8-10-13/h7-10,14,20,23H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)/t14-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102991
PNG
((R)-5-[3-((R)-1-Phenyl-ethyl)-ureido]-2-[4-(thioph...)
Show SMILES C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1cccs1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C24H28N4O7S3/c1-17(18-7-3-2-4-8-18)26-24(30)25-15-5-9-21(23(29)27-31)28-38(34,35)20-13-11-19(12-14-20)37(32,33)22-10-6-16-36-22/h2-4,6-8,10-14,16-17,21,28,31H,5,9,15H2,1H3,(H,27,29)(H2,25,26,30)/t17-,21-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102958
PNG
((S)-2-(4-Methoxy-benzenesulfonylamino)-5-[3-(2-thi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)NCCc1cccs1)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S2/c1-29-14-6-8-16(9-7-14)31(27,28)23-17(18(24)22-26)5-2-11-20-19(25)21-12-10-15-4-3-13-30-15/h3-4,6-9,13,17,23,26H,2,5,10-12H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102968
PNG
((R)-2-{3-[(S)-4-Hydroxycarbamoyl-4-(4-methoxy-benz...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C23H30N4O8S/c1-34-17-10-12-18(13-11-17)36(32,33)27-19(21(28)26-31)9-6-14-24-23(30)25-20(22(29)35-2)15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20,27,31H,6,9,14-15H2,1-2H3,(H,26,28)(H2,24,25,30)/t19-,20+/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102961
PNG
((S)-2-(4-Methoxy-benzenesulfonylamino)-5-(3-phenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H24N4O6S/c1-29-15-9-11-16(12-10-15)30(27,28)23-17(18(24)22-26)8-5-13-20-19(25)21-14-6-3-2-4-7-14/h2-4,6-7,9-12,17,23,26H,5,8,13H2,1H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102970
PNG
((R)-5-[3-(2-Chloro-phenyl)-ureido]-2-[(4-methoxy-b...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)[C@H](CCCNC(=O)Nc1ccccc1Cl)C(=O)NO
Show InChI InChI=1S/C20H25ClN4O6S/c1-25(32(29,30)15-11-9-14(31-2)10-12-15)18(19(26)24-28)8-5-13-22-20(27)23-17-7-4-3-6-16(17)21/h3-4,6-7,9-12,18,28H,5,8,13H2,1-2H3,(H,24,26)(H2,22,23,27)/t18-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102985
PNG
((S)-5-[3-(2-Chloro-phenyl)-ureido]-2-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CCCNC(=O)Nc1ccccc1Cl)C(=O)NO
Show InChI InChI=1S/C19H23ClN4O6S/c1-30-13-8-10-14(11-9-13)31(28,29)24-17(18(25)23-27)7-4-12-21-19(26)22-16-6-3-2-5-15(16)20/h2-3,5-6,8-11,17,24,27H,4,7,12H2,1H3,(H,23,25)(H2,21,22,26)/t17-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102994
PNG
((R)-2-(5-Chloro-thiophene-2-sulfonylamino)-5-[3-((...)
Show SMILES C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H23ClN4O5S2/c1-12(13-6-3-2-4-7-13)21-18(25)20-11-5-8-14(17(24)22-26)23-30(27,28)16-10-9-15(19)29-16/h2-4,6-7,9-10,12,14,23,26H,5,8,11H2,1H3,(H,22,24)(H2,20,21,25)/t12-,14-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102949
PNG
((R)-2-(4-Methoxy-2,6-dimethyl-benzenesulfonylamino...)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H32N4O6S/c1-15-13-19(33-4)14-16(2)21(15)34(31,32)27-20(22(28)26-30)11-8-12-24-23(29)25-17(3)18-9-6-5-7-10-18/h5-7,9-10,13-14,17,20,27,30H,8,11-12H2,1-4H3,(H,26,28)(H2,24,25,29)/t17-,20-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 2085-8 (2001)


BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
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