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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50040942   
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))
BDBM50402510
PNG
(CHEMBL2204087)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H30N4O6S/c1-36-23-11-7-20(8-12-23)15-17-30(18-16-25(31)29-33)37(34,35)24-13-9-22(10-14-24)28-26(32)27-19-21-5-3-2-4-6-21/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
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n/an/a 10n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402514
PNG
(CHEMBL2204088)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H32N4O6S/c1-37-24-11-7-22(8-12-24)16-19-31(20-17-26(32)30-34)38(35,36)25-13-9-23(10-14-25)29-27(33)28-18-15-21-5-3-2-4-6-21/h2-14,34H,15-20H2,1H3,(H,30,32)(H2,28,29,33)
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n/an/a 30n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402519
PNG
(CHEMBL2204817)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H27F3N4O6S/c1-39-22-10-2-18(3-11-22)14-16-33(17-15-24(34)32-36)40(37,38)23-12-8-21(9-13-23)31-25(35)30-20-6-4-19(5-7-20)26(27,28)29/h2-13,36H,14-17H2,1H3,(H,32,34)(H2,30,31,35)
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n/an/a 42n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM13104
PNG
(2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20)
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n/an/a 50n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of para-amino phenylmercuric acetate-activated MMP9 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402513
PNG
(CHEMBL2204089)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccc(OC)cc1
Show InChI InChI=1S/C20H26N4O6S/c1-21-20(26)22-16-5-9-18(10-6-16)31(28,29)24(14-12-19(25)23-27)13-11-15-3-7-17(30-2)8-4-15/h3-10,27H,11-14H2,1-2H3,(H,23,25)(H2,21,22,26)
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n/an/a 60n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402516
PNG
(CHEMBL2204085)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H32N4O6S/c1-41-28-15-7-23(8-16-28)19-21-35(22-20-30(36)34-38)42(39,40)29-17-13-27(14-18-29)33-31(37)32-26-11-9-25(10-12-26)24-5-3-2-4-6-24/h2-18,38H,19-22H2,1H3,(H,34,36)(H2,32,33,37)
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n/an/a 73n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402511
PNG
(CHEMBL2204802)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)C(=N)NO)cc1
Show InChI InChI=1S/C19H24N4O6S/c1-29-16-6-2-14(3-7-16)10-12-23(13-11-18(24)21-25)30(27,28)17-8-4-15(5-9-17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)
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n/an/a 80n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402521
PNG
(CHEMBL2204815)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H28N4O6S/c1-35-22-11-7-19(8-12-22)15-17-29(18-16-24(30)28-32)36(33,34)23-13-9-21(10-14-23)27-25(31)26-20-5-3-2-4-6-20/h2-14,32H,15-18H2,1H3,(H,28,30)(H2,26,27,31)
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n/an/a 93n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13104
PNG
(2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20)
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n/an/a 140n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of para-amino phenylmercuric acetate-activated MMP2 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402512
PNG
(CHEMBL2204807)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H24N2O7S2/c1-28-16-5-3-15(4-6-16)11-13-21(14-12-19(22)20-23)30(26,27)18-9-7-17(8-10-18)29(2,24)25/h3-10,23H,11-14H2,1-2H3,(H,20,22)
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n/an/a 290n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402515
PNG
(CHEMBL2204086)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C25H27ClN4O6S/c1-36-22-10-2-18(3-11-22)14-16-30(17-15-24(31)29-33)37(34,35)23-12-8-21(9-13-23)28-25(32)27-20-6-4-19(26)5-7-20/h2-13,33H,14-17H2,1H3,(H,29,31)(H2,27,28,32)
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n/an/a 300n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402520
PNG
(CHEMBL2204816)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
Show InChI InChI=1S/C26H30N4O7S/c1-36-22-9-3-19(4-10-22)15-17-30(18-16-25(31)29-33)38(34,35)24-13-7-21(8-14-24)28-26(32)27-20-5-11-23(37-2)12-6-20/h3-14,33H,15-18H2,1-2H3,(H,29,31)(H2,27,28,32)
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n/an/a 350n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402518
PNG
(CHEMBL2204083)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C33H36N4O6S/c1-43-30-16-12-26(13-17-30)20-22-37(23-21-32(38)35-40)44(41,42)31-18-14-29(15-19-31)34-33(39)36(24-27-8-4-2-5-9-27)25-28-10-6-3-7-11-28/h2-19,40H,20-25H2,1H3,(H,34,39)(H,35,38)
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n/an/a 380n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402532
PNG
(CHEMBL2204803)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2cccc(c2)C(=N)NO)cc1
Show InChI InChI=1S/C19H24N4O6S/c1-29-16-7-5-14(6-8-16)9-11-23(12-10-18(24)21-25)30(27,28)17-4-2-3-15(13-17)19(20)22-26/h2-8,13,25-26H,9-12H2,1H3,(H2,20,22)(H,21,24)
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n/an/a 400n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402530
PNG
(CHEMBL2204805)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-34-22-11-7-19(8-12-22)15-17-28(18-16-24(29)27-31)35(32,33)23-13-9-21(10-14-23)26-25(30)20-5-3-2-4-6-20/h2-14,31H,15-18H2,1H3,(H,26,30)(H,27,29)
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n/an/a 410n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402529
PNG
(CHEMBL2204806)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H27N3O7S2/c1-34-21-11-7-19(8-12-21)15-17-27(18-16-24(28)25-29)36(32,33)23-13-9-20(10-14-23)26-35(30,31)22-5-3-2-4-6-22/h2-14,26,29H,15-18H2,1H3,(H,25,28)
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n/an/a 470n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402517
PNG
(CHEMBL2204084)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H32N4O6S/c1-41-28-16-12-24(13-17-28)20-22-34(23-21-30(36)33-38)42(39,40)29-18-14-25(15-19-29)32-31(37)35(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-19,38H,20-23H2,1H3,(H,32,37)(H,33,36)
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n/an/a 780n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402557
PNG
(CHEMBL2204820)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccccc1
Show InChI InChI=1S/C18H22N2O5S/c1-25-16-7-9-17(10-8-16)26(23,24)20(14-12-18(21)19-22)13-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,19,21)
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n/an/a 900n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402545
PNG
(CHEMBL2204833)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CC1CCCCC1
Show InChI InChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(12-11-17(20)18-21)13-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402510
PNG
(CHEMBL2204087)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H30N4O6S/c1-36-23-11-7-20(8-12-23)15-17-30(18-16-25(31)29-33)37(34,35)24-13-9-22(10-14-24)28-26(32)27-19-21-5-3-2-4-6-21/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP in HFF cells assessed as inhibition of collagen deposition after 48 hrs by ELISA


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402533
PNG
(CHEMBL2204800)
Show SMILES ONC(=O)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20N2O6S/c21-17(19-24)11-13-20(12-10-14-4-2-1-3-5-14)27(25,26)16-8-6-15(7-9-16)18(22)23/h1-9,24H,10-13H2,(H,19,21)(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402542
PNG
(CHEMBL2204836)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C19H24N2O6S/c1-26-16-5-3-15(4-6-16)11-13-21(14-12-19(22)20-23)28(24,25)18-9-7-17(27-2)8-10-18/h3-10,23H,11-14H2,1-2H3,(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402543
PNG
(CHEMBL2204835)
Show SMILES COc1ccc(cc1)N(CCC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-24-14-5-3-13(4-6-14)19(12-11-17(20)18-21)26(22,23)16-9-7-15(25-2)8-10-16/h3-10,21H,11-12H2,1-2H3,(H,18,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402546
PNG
(CHEMBL2204832)
Show SMILES CCC(C)N(CCC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C14H22N2O5S/c1-4-11(2)16(10-9-14(17)15-18)22(19,20)13-7-5-12(21-3)6-8-13/h5-8,11,18H,4,9-10H2,1-3H3,(H,15,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402534
PNG
(CHEMBL2204799)
Show SMILES ONC(=O)CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O4S/c20-17(18-21)12-14-19(13-11-15-7-3-1-4-8-15)24(22,23)16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,18,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402541
PNG
(CHEMBL2204837)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1cccc(OC)c1
Show InChI InChI=1S/C19H24N2O6S/c1-26-16-6-8-18(9-7-16)28(24,25)21(13-11-19(22)20-23)12-10-15-4-3-5-17(14-15)27-2/h3-9,14,23H,10-13H2,1-2H3,(H,20,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402504
PNG
(CHEMBL2204846)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CC(O)=O)C(=O)NO |r|
Show InChI InChI=1S/C18H20N2O7S/c1-27-14-7-9-15(10-8-14)28(25,26)20(12-13-5-3-2-4-6-13)16(11-17(21)22)18(23)19-24/h2-10,16,24H,11-12H2,1H3,(H,19,23)(H,21,22)/t16-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402559
PNG
(CHEMBL2204818)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)c1ccccc1
Show InChI InChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-11-16(19)17-20)13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402558
PNG
(CHEMBL2204819)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(12-11-17(20)18-21)13-14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,18,20)
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n/an/a 4.50E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402526
PNG
(CHEMBL2204810)
Show SMILES COc1ccc(CCN(CC(=O)CS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23NO6S3/c1-26-17-5-3-15(4-6-17)11-12-20(13-16(21)14-27)29(24,25)19-9-7-18(8-10-19)28(2,22)23/h3-10,27H,11-14H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402554
PNG
(CHEMBL2204823)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCC(=O)NO)CCc1ccccc1
Show InChI InChI=1S/C19H24N2O5S/c1-26-17-9-11-18(12-10-17)27(24,25)21(14-5-8-19(22)20-23)15-13-16-6-3-2-4-7-16/h2-4,6-7,9-12,23H,5,8,13-15H2,1H3,(H,20,22)
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n/an/a 4.90E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50402512
PNG
(CHEMBL2204807)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H24N2O7S2/c1-28-16-5-3-15(4-6-16)11-13-21(14-12-19(22)20-23)30(26,27)18-9-7-17(8-10-18)29(2,24)25/h3-10,23H,11-14H2,1-2H3,(H,20,22)
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n/an/a>6.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of para-amino phenylmercuric acetate-activated MMP9 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50402512
PNG
(CHEMBL2204807)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H24N2O7S2/c1-28-16-5-3-15(4-6-16)11-13-21(14-12-19(22)20-23)30(26,27)18-9-7-17(8-10-18)29(2,24)25/h3-10,23H,11-14H2,1-2H3,(H,20,22)
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n/an/a>6.00E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of para-amino phenylmercuric acetate-activated MMP2 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402536
PNG
(CHEMBL2204091)
Show SMILES CCCCS(=O)(=O)N(CCC(=O)NO)CCc1ccc(OC)cc1
Show InChI InChI=1S/C16H26N2O5S/c1-3-4-13-24(21,22)18(12-10-16(19)17-20)11-9-14-5-7-15(23-2)8-6-14/h5-8,20H,3-4,9-13H2,1-2H3,(H,17,19)
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n/an/a 6.70E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402531
PNG
(CHEMBL2204804)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccccc2C(=N)NO)cc1
Show InChI InChI=1S/C19H24N4O6S/c1-29-15-8-6-14(7-9-15)10-12-23(13-11-18(24)21-25)30(27,28)17-5-3-2-4-16(17)19(20)22-26/h2-9,25-26H,10-13H2,1H3,(H2,20,22)(H,21,24)
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n/an/a 7.10E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402544
PNG
(CHEMBL2204834)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccccn1
Show InChI InChI=1S/C17H21N3O5S/c1-25-15-5-7-16(8-6-15)26(23,24)20(13-10-17(21)19-22)12-9-14-4-2-3-11-18-14/h2-8,11,22H,9-10,12-13H2,1H3,(H,19,21)
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n/an/a 8.10E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402528
PNG
(CHEMBL2204808)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H24N2O7S2/c1-28-16-9-7-15(8-10-16)11-13-21(14-12-19(22)20-23)30(26,27)18-6-4-3-5-17(18)29(2,24)25/h3-10,23H,11-14H2,1-2H3,(H,20,22)
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n/an/a 9.10E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402522
PNG
(CHEMBL2204814)
Show SMILES COc1ccc(CCN(CCS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H23NO5S3/c1-24-16-5-3-15(4-6-16)11-12-19(13-14-25)27(22,23)18-9-7-17(8-10-18)26(2,20)21/h3-10,25H,11-14H2,1-2H3
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n/an/a 9.40E+3n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402505
PNG
(CHEMBL2204845)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)NO |r|
Show InChI InChI=1S/C11H14N2O7S/c1-20-7-2-4-8(5-3-7)21(18,19)13-9(6-10(14)15)11(16)12-17/h2-5,9,13,17H,6H2,1H3,(H,12,16)(H,14,15)/t9-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402555
PNG
(CHEMBL2204822)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C18H22N2O5S/c1-25-16-9-11-17(12-10-16)26(23,24)20(13-5-8-18(21)19-22)14-15-6-3-2-4-7-15/h2-4,6-7,9-12,22H,5,8,13-14H2,1H3,(H,19,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402540
PNG
(CHEMBL2204839)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O7S/c1-28-16-6-8-17(9-7-16)29(26,27)20(13-11-18(22)19-23)12-10-14-2-4-15(5-3-14)21(24)25/h2-9,23H,10-13H2,1H3,(H,19,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402525
PNG
(CHEMBL2204811)
Show SMILES COc1ccc(CCN(CCC(=O)CS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H25NO6S3/c1-27-18-5-3-16(4-6-18)11-13-21(14-12-17(22)15-28)30(25,26)20-9-7-19(8-10-20)29(2,23)24/h3-10,28H,11-15H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402523
PNG
(CHEMBL2204813)
Show SMILES COc1ccc(CCN(CCCS)S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H25NO5S3/c1-25-17-6-4-16(5-7-17)12-14-20(13-3-15-26)28(23,24)19-10-8-18(9-11-19)27(2,21)22/h4-11,26H,3,12-15H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM11331
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19)
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n/an/a 1.60E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402527
PNG
(CHEMBL2204809)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccccc1
Show InChI InChI=1S/C21H28N2O4S/c1-21(2,3)18-9-11-19(12-10-18)28(26,27)23(16-14-20(24)22-25)15-13-17-7-5-4-6-8-17/h4-12,25H,13-16H2,1-3H3,(H,22,24)
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n/an/a 1.70E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM13095
PNG
(CGS 27023A Analog 23 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(13-17(20)18-21)12-11-14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,18,20)
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n/an/a 1.80E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402550
PNG
(CHEMBL2204828)
Show SMILES COc1ccc(CCN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C18H22N2O6S/c1-25-15-5-3-14(4-6-15)11-12-20(13-18(21)19-22)27(23,24)17-9-7-16(26-2)8-10-17/h3-10,22H,11-13H2,1-2H3,(H,19,21)
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n/an/a 1.80E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM13104
PNG
(2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20)
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n/an/a 1.90E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50402539
PNG
(CHEMBL2204840)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC(=O)NO)CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H23N3O7S2/c1-28-15-4-8-17(9-5-15)30(26,27)21(13-11-18(22)20-23)12-10-14-2-6-16(7-3-14)29(19,24)25/h2-9,23H,10-13H2,1H3,(H,20,22)(H2,19,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50402510
PNG
(CHEMBL2204087)
Show SMILES COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H30N4O6S/c1-36-23-11-7-20(8-12-23)15-17-30(18-16-25(31)29-33)37(34,35)24-13-9-22(10-14-24)28-26(32)27-19-21-5-3-2-4-6-21/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
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n/an/a>2.50E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of para-amino phenylmercuric acetate-activated MMP9 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair
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