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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'abbot' and Initial = 'sc'   
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)
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)
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)
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)
BDBM50093836
PNG
(CHEMBL310992 | {(S)-2-[(2S,3S)-2-(3,4-Dibromo-benz...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H28Br2N4O7S/c1-3-14(2)20(29-37(34,35)16-9-10-17(24)18(25)11-16)22(31)27-19(21(30)28-33)12-26-23(32)36-13-15-7-5-4-6-8-15/h4-11,14,19-20,29,33H,3,12-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t14-,19-,20-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
BDBM50093871
PNG
((2R,3R)-2-(2,5-Dichloro-benzenesulfonylamino)-3-me...)
Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C18H22Cl2N4O5S2/c1-3-10(2)16(24-31(28,29)15-6-11(19)4-5-13(15)20)18(26)22-14(17(25)23-27)7-12-8-30-9-21-12/h4-6,8-10,14,16,24,27H,3,7H2,1-2H3,(H,22,26)(H,23,25)/t10-,14-,16-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
BDBM50093834
PNG
((2R,3R)-2-(3,4-Dibromo-benzenesulfonylamino)-3-met...)
Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C18H22Br2N4O5S2/c1-3-10(2)16(24-31(28,29)12-4-5-13(19)14(20)7-12)18(26)22-15(17(25)23-27)6-11-8-30-9-21-11/h4-5,7-10,15-16,24,27H,3,6H2,1-2H3,(H,22,26)(H,23,25)/t10-,15-,16-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093840
PNG
((2S,3S)-2-(4,5-Dibromo-thiophene-2-sulfonylamino)-...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Br)c(Br)s1)C(=O)NC(Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C16H20Br2N4O5S3/c1-3-8(2)13(22-30(26,27)12-5-10(17)14(18)29-12)16(24)20-11(15(23)21-25)4-9-6-28-7-19-9/h5-8,11,13,22,25H,3-4H2,1-2H3,(H,20,24)(H,21,23)/t8-,11?,13-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
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)
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)
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)
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)
BDBM50093837
PNG
((2R,3R)-2-(4-Chloro-4,6-dimethyl-cyclohexa-1,5-die...)
Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CCC(C)(Cl)C=C1C)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C20H29ClN4O5S2/c1-5-12(2)17(25-32(29,30)16-6-7-20(4,21)9-13(16)3)19(27)23-15(18(26)24-28)8-14-10-31-11-22-14/h6,9-12,15,17,25,28H,5,7-8H2,1-4H3,(H,23,27)(H,24,26)/t12-,15-,17-,20?/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093876
PNG
(CHEMBL83127 | {1-[(1S,2R)-1-((S)-1-Hydroxycarbamoy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C(CCSC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C25H35N5O6S2/c1-4-16(2)21(24(33)27-20(23(32)30-35)12-18-14-38-15-26-18)29-22(31)19(10-11-37-3)28-25(34)36-13-17-8-6-5-7-9-17/h5-9,14-16,19-21,35H,4,10-13H2,1-3H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t16-,19?,20+,21+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093869
PNG
(CHEMBL86076 | {1-[(1S,2R)-1-((S)-1-Hydroxycarbamoy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C29H35N5O6S/c1-3-19(2)25(28(37)31-24(27(36)34-39)15-22-17-41-18-30-22)33-26(35)23(14-20-10-6-4-7-11-20)32-29(38)40-16-21-12-8-5-9-13-21/h4-13,17-19,23-25,39H,3,14-16H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)/t19-,23?,24+,25+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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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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)
BDBM50093872
PNG
((2R,3R)-3-Methyl-2-(2,4,5-trichloro-benzenesulfony...)
Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C18H21Cl3N4O5S2/c1-3-9(2)16(25-32(29,30)15-6-12(20)11(19)5-13(15)21)18(27)23-14(17(26)24-28)4-10-7-31-8-22-10/h5-9,14,16,25,28H,3-4H2,1-2H3,(H,23,27)(H,24,26)/t9-,14-,16-/m1/s1
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Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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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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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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)
BDBM50093873
PNG
(4-Chloro-N-(4-fluoro-benzyl)-N-{[(1R,2R)-1-((R)-1-...)
Show SMILES CC[C@@H](C)[C@@H](NCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C27H31ClFN5O4S/c1-3-17(2)24(26(36)32-23(25(35)33-38)12-22-14-39-16-31-22)30-15-34(13-18-4-10-21(29)11-5-18)27(37)19-6-8-20(28)9-7-19/h4-11,14,16-17,23-24,30,38H,3,12-13,15H2,1-2H3,(H,32,36)(H,33,35)/t17-,23-,24-/m1/s1
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Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093862
PNG
(CHEMBL83111 | {2-[2-(4,5-Dibromo-thiophene-2-sulfo...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Br)c(Br)s1)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H26Br2N4O7S2/c1-3-12(2)17(27-36(32,33)16-9-14(22)18(23)35-16)20(29)25-15(19(28)26-31)10-24-21(30)34-11-13-7-5-4-6-8-13/h4-9,12,15,17,27,31H,3,10-11H2,1-2H3,(H,24,30)(H,25,29)(H,26,28)/t12-,15-,17-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
BDBM50093816
PNG
(3-Chloro-N-(4-fluoro-benzyl)-N-{[(1R,2R)-1-((R)-1-...)
Show SMILES CC[C@@H](C)[C@@H](NCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C27H31ClFN5O4S/c1-3-17(2)24(26(36)32-23(25(35)33-38)12-22-14-39-16-31-22)30-15-34(13-18-7-9-21(29)10-8-18)27(37)19-5-4-6-20(28)11-19/h4-11,14,16-17,23-24,30,38H,3,12-13,15H2,1-2H3,(H,32,36)(H,33,35)/t17-,23-,24-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
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)
BDBM50093817
PNG
(CHEMBL81901 | [(1R,2R)-1-(2-Benzyloxycarbonylamino...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(NC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C25H32N4O7/c1-3-17(2)21(28-25(33)36-16-19-12-8-5-9-13-19)23(31)26-14-20(22(30)29-34)27-24(32)35-15-18-10-6-4-7-11-18/h4-13,17,20-21,34H,3,14-16H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30)/t17-,20?,21-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093850
PNG
(CHEMBL311222 | {(S)-2-[(2S,3S)-2-(2,5-Dichloro-ben...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H28Cl2N4O7S/c1-3-14(2)20(29-37(34,35)19-11-16(24)9-10-17(19)25)22(31)27-18(21(30)28-33)12-26-23(32)36-13-15-7-5-4-6-8-15/h4-11,14,18,20,29,33H,3,12-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t14-,18-,20-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093821
PNG
(CHEMBL310772 | {(S)-2-[(2S,3S)-2-(4-Chloro-2,5-dim...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C)c(Cl)cc1C)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C25H33ClN4O7S/c1-5-15(2)22(30-38(35,36)21-12-16(3)19(26)11-17(21)4)24(32)28-20(23(31)29-34)13-27-25(33)37-14-18-9-7-6-8-10-18/h6-12,15,20,22,30,34H,5,13-14H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t15-,20-,22-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens)
BDBM50093826
PNG
(CHEMBL314390 | [1-[(1S,2R)-1-((S)-1-Hydroxycarbamo...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C31H36N6O6S/c1-3-19(2)27(30(40)34-26(29(39)37-42)14-22-17-44-18-33-22)36-28(38)25(13-21-15-32-24-12-8-7-11-23(21)24)35-31(41)43-16-20-9-5-4-6-10-20/h4-12,15,17-19,25-27,32,42H,3,13-14,16H2,1-2H3,(H,34,40)(H,35,41)(H,36,38)(H,37,39)/t19-,25?,26+,27+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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)
BDBM50093824
PNG
(CHEMBL315775 | [(1R,2R)-1-((R)-1-Hydroxycarbamoyl-...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C20H24Cl2N4O5S/c1-3-11(2)17(25-20(29)31-8-12-4-5-14(21)15(22)6-12)19(28)24-16(18(27)26-30)7-13-9-32-10-23-13/h4-6,9-11,16-17,30H,3,7-8H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t11-,16-,17-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
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
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