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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Placenta growth factor' and Ligand = 'BDBM50339191'   
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
Placenta growth factor


(Homo sapiens (Human))
BDBM50339191
PNG
(CHEMBL1689460)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C107H157N25O25S3/c1-58(2)46-79-107(156)131-43-23-31-82(131)102(151)122-77(49-68-52-111-57-113-68)97(146)124-80(100(149)118-73(30-19-22-42-110)95(144)127-88(59(3)4)103(152)119-74(39-45-158-11)93(142)116-72(29-18-21-41-109)94(143)126-84(136)54-157-53-83(135)115-67-35-32-64(33-36-67)34-37-85(137)132-44-38-86(132)138)55-159-160-56-81(125-104(153)89(60(5)6)128-99(148)78(50-87(139)140)121-96(145)75(114-63(10)134)47-65-24-13-12-14-25-65)101(150)117-71(28-17-20-40-108)92(141)120-76(48-66-51-112-70-27-16-15-26-69(66)70)98(147)129-90(61(7)8)105(154)130-91(62(9)133)106(155)123-79/h12-16,24-27,32-33,35-36,51-52,57-62,71-82,88-91,112,133H,17-23,28-31,34,37-50,53-56,108-110H2,1-11H3,(H,111,113)(H,114,134)(H,115,135)(H,116,142)(H,117,150)(H,118,149)(H,119,152)(H,120,141)(H,121,145)(H,122,151)(H,123,155)(H,124,146)(H,125,153)(H,127,144)(H,128,148)(H,129,147)(H,130,154)(H,139,140)(H,126,136,143)/t62-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,88+,89+,90+,91+/m1/s1
PDB
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PlGF-1-VEGFR-1 interaction by ELISA


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair
Placenta growth factor


(Homo sapiens (Human))
BDBM50339191
PNG
(CHEMBL1689460)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C107H157N25O25S3/c1-58(2)46-79-107(156)131-43-23-31-82(131)102(151)122-77(49-68-52-111-57-113-68)97(146)124-80(100(149)118-73(30-19-22-42-110)95(144)127-88(59(3)4)103(152)119-74(39-45-158-11)93(142)116-72(29-18-21-41-109)94(143)126-84(136)54-157-53-83(135)115-67-35-32-64(33-36-67)34-37-85(137)132-44-38-86(132)138)55-159-160-56-81(125-104(153)89(60(5)6)128-99(148)78(50-87(139)140)121-96(145)75(114-63(10)134)47-65-24-13-12-14-25-65)101(150)117-71(28-17-20-40-108)92(141)120-76(48-66-51-112-70-27-16-15-26-69(66)70)98(147)129-90(61(7)8)105(154)130-91(62(9)133)106(155)123-79/h12-16,24-27,32-33,35-36,51-52,57-62,71-82,88-91,112,133H,17-23,28-31,34,37-50,53-56,108-110H2,1-11H3,(H,111,113)(H,114,134)(H,115,135)(H,116,142)(H,117,150)(H,118,149)(H,119,152)(H,120,141)(H,121,145)(H,122,151)(H,123,155)(H,124,146)(H,125,153)(H,127,144)(H,128,148)(H,129,147)(H,130,154)(H,139,140)(H,126,136,143)/t62-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,88+,89+,90+,91+/m1/s1
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PlGF-2-VEGFR-1 interaction by ELISA


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair
Placenta growth factor


(Mus musculus)
BDBM50339191
PNG
(CHEMBL1689460)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C107H157N25O25S3/c1-58(2)46-79-107(156)131-43-23-31-82(131)102(151)122-77(49-68-52-111-57-113-68)97(146)124-80(100(149)118-73(30-19-22-42-110)95(144)127-88(59(3)4)103(152)119-74(39-45-158-11)93(142)116-72(29-18-21-41-109)94(143)126-84(136)54-157-53-83(135)115-67-35-32-64(33-36-67)34-37-85(137)132-44-38-86(132)138)55-159-160-56-81(125-104(153)89(60(5)6)128-99(148)78(50-87(139)140)121-96(145)75(114-63(10)134)47-65-24-13-12-14-25-65)101(150)117-71(28-17-20-40-108)92(141)120-76(48-66-51-112-70-27-16-15-26-69(66)70)98(147)129-90(61(7)8)105(154)130-91(62(9)133)106(155)123-79/h12-16,24-27,32-33,35-36,51-52,57-62,71-82,88-91,112,133H,17-23,28-31,34,37-50,53-56,108-110H2,1-11H3,(H,111,113)(H,114,134)(H,115,135)(H,116,142)(H,117,150)(H,118,149)(H,119,152)(H,120,141)(H,121,145)(H,122,151)(H,123,155)(H,124,146)(H,125,153)(H,127,144)(H,128,148)(H,129,147)(H,130,154)(H,139,140)(H,126,136,143)/t62-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,88+,89+,90+,91+/m1/s1
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PC sid
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Article
PubMed
n/an/an/a 400n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse PlGF


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair
Placenta growth factor


(Homo sapiens (Human))
BDBM50339191
PNG
(CHEMBL1689460)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C107H157N25O25S3/c1-58(2)46-79-107(156)131-43-23-31-82(131)102(151)122-77(49-68-52-111-57-113-68)97(146)124-80(100(149)118-73(30-19-22-42-110)95(144)127-88(59(3)4)103(152)119-74(39-45-158-11)93(142)116-72(29-18-21-41-109)94(143)126-84(136)54-157-53-83(135)115-67-35-32-64(33-36-67)34-37-85(137)132-44-38-86(132)138)55-159-160-56-81(125-104(153)89(60(5)6)128-99(148)78(50-87(139)140)121-96(145)75(114-63(10)134)47-65-24-13-12-14-25-65)101(150)117-71(28-17-20-40-108)92(141)120-76(48-66-51-112-70-27-16-15-26-69(66)70)98(147)129-90(61(7)8)105(154)130-91(62(9)133)106(155)123-79/h12-16,24-27,32-33,35-36,51-52,57-62,71-82,88-91,112,133H,17-23,28-31,34,37-50,53-56,108-110H2,1-11H3,(H,111,113)(H,114,134)(H,115,135)(H,116,142)(H,117,150)(H,118,149)(H,119,152)(H,120,141)(H,121,145)(H,122,151)(H,123,155)(H,124,146)(H,125,153)(H,127,144)(H,128,148)(H,129,147)(H,130,154)(H,139,140)(H,126,136,143)/t62-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,88+,89+,90+,91+/m1/s1
PDB
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Article
PubMed
n/an/an/a 4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PlGF-1


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair
Placenta growth factor


(Homo sapiens (Human))
BDBM50339191
PNG
(CHEMBL1689460)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C107H157N25O25S3/c1-58(2)46-79-107(156)131-43-23-31-82(131)102(151)122-77(49-68-52-111-57-113-68)97(146)124-80(100(149)118-73(30-19-22-42-110)95(144)127-88(59(3)4)103(152)119-74(39-45-158-11)93(142)116-72(29-18-21-41-109)94(143)126-84(136)54-157-53-83(135)115-67-35-32-64(33-36-67)34-37-85(137)132-44-38-86(132)138)55-159-160-56-81(125-104(153)89(60(5)6)128-99(148)78(50-87(139)140)121-96(145)75(114-63(10)134)47-65-24-13-12-14-25-65)101(150)117-71(28-17-20-40-108)92(141)120-76(48-66-51-112-70-27-16-15-26-69(66)70)98(147)129-90(61(7)8)105(154)130-91(62(9)133)106(155)123-79/h12-16,24-27,32-33,35-36,51-52,57-62,71-82,88-91,112,133H,17-23,28-31,34,37-50,53-56,108-110H2,1-11H3,(H,111,113)(H,114,134)(H,115,135)(H,116,142)(H,117,150)(H,118,149)(H,119,152)(H,120,141)(H,121,145)(H,122,151)(H,123,155)(H,124,146)(H,125,153)(H,127,144)(H,128,148)(H,129,147)(H,130,154)(H,139,140)(H,126,136,143)/t62-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,88+,89+,90+,91+/m1/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PlGF-2


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair