Found 31 hits Enz. Inhib. hit(s) with Target = 'Growth factor receptor-bound protein 7' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250519
(CHEMBL4069253)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C50H64N12O18S/c51-36(63)20-33-48(77)58-30-13-15-37(64)53-17-5-4-8-28(55-39(66)24-81-23-35(42(52)71)62-45(30)74)44(73)59-32(18-25-6-2-1-3-7-25)47(76)57-29(14-16-40(67)68)43(72)54-22-38(65)56-31(19-26-9-11-27(12-10-26)50(79)80)46(75)61-34(21-41(69)70)49(78)60-33/h1-3,6-7,9-12,28-35H,4-5,8,13-24H2,(H2,51,63)(H2,52,71)(H,53,64)(H,54,72)(H,55,66)(H,56,65)(H,57,76)(H,58,77)(H,59,73)(H,60,78)(H,61,75)(H,62,74)(H,67,68)(H,69,70)(H,79,80)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250518
(CHEMBL4093671)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C51H66N12O18S/c52-37(64)21-34-50(80)59-31-13-15-38(65)54-17-5-4-8-29(56-40(67)25-82-24-36(44(53)74)63-47(31)77)46(76)60-33(18-26-6-2-1-3-7-26)49(79)58-30(14-16-41(68)69)45(75)55-23-39(66)57-32(19-27-9-11-28(12-10-27)20-42(70)71)48(78)62-35(22-43(72)73)51(81)61-34/h1-3,6-7,9-12,29-36H,4-5,8,13-25H2,(H2,52,64)(H2,53,74)(H,54,65)(H,55,75)(H,56,67)(H,57,66)(H,58,79)(H,59,80)(H,60,76)(H,61,81)(H,62,78)(H,63,77)(H,68,69)(H,70,71)(H,72,73)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250517
(CHEMBL4072970)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C49H64N12O17S/c50-36(63)20-33-48(77)57-30-13-15-37(64)52-17-5-4-8-28(54-39(66)24-79-23-35(42(51)71)61-45(30)74)44(73)58-32(18-25-6-2-1-3-7-25)47(76)56-29(14-16-40(67)68)43(72)53-22-38(65)55-31(19-26-9-11-27(62)12-10-26)46(75)60-34(21-41(69)70)49(78)59-33/h1-3,6-7,9-12,28-35,62H,4-5,8,13-24H2,(H2,50,63)(H2,51,71)(H,52,64)(H,53,72)(H,54,66)(H,55,65)(H,56,76)(H,57,77)(H,58,73)(H,59,78)(H,60,75)(H,61,74)(H,67,68)(H,69,70)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250524
(CHEMBL4078046)Show SMILES NC(=O)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCC=CCOC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r,c:58| Show InChI InChI=1S/C48H61N11O18S/c49-36(61)18-31-45(72)58-34-22-77-15-5-4-14-76-21-33(53-38(63)24-78-23-35(41(50)68)59-48(34)75)47(74)55-30(16-25-6-2-1-3-7-25)44(71)54-28(12-13-39(64)65)42(69)51-20-37(62)52-29(17-26-8-10-27(60)11-9-26)43(70)57-32(19-40(66)67)46(73)56-31/h1-11,28-35,60H,12-24H2,(H2,49,61)(H2,50,68)(H,51,69)(H,52,62)(H,53,63)(H,54,71)(H,55,74)(H,56,73)(H,57,70)(H,58,72)(H,59,75)(H,64,65)(H,66,67)/b5-4-/t28-,29+,30+,31-,32+,33+,34+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged GRB7-SH2 (415 to 532 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in 50 mM sodium phosphate buff... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250519
(CHEMBL4069253)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C50H64N12O18S/c51-36(63)20-33-48(77)58-30-13-15-37(64)53-17-5-4-8-28(55-39(66)24-81-23-35(42(52)71)62-45(30)74)44(73)59-32(18-25-6-2-1-3-7-25)47(76)57-29(14-16-40(67)68)43(72)54-22-38(65)56-31(19-26-9-11-27(12-10-26)50(79)80)46(75)61-34(21-41(69)70)49(78)60-33/h1-3,6-7,9-12,28-35H,4-5,8,13-24H2,(H2,51,63)(H2,52,71)(H,53,64)(H,54,72)(H,55,66)(H,56,65)(H,57,76)(H,58,77)(H,59,73)(H,60,78)(H,61,75)(H,62,74)(H,67,68)(H,69,70)(H,79,80)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250517
(CHEMBL4072970)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C49H64N12O17S/c50-36(63)20-33-48(77)57-30-13-15-37(64)52-17-5-4-8-28(54-39(66)24-79-23-35(42(51)71)61-45(30)74)44(73)58-32(18-25-6-2-1-3-7-25)47(76)56-29(14-16-40(67)68)43(72)53-22-38(65)55-31(19-26-9-11-27(62)12-10-26)46(75)60-34(21-41(69)70)49(78)59-33/h1-3,6-7,9-12,28-35,62H,4-5,8,13-24H2,(H2,50,63)(H2,51,71)(H,52,64)(H,53,72)(H,54,66)(H,55,65)(H,56,76)(H,57,77)(H,58,73)(H,59,78)(H,60,75)(H,61,74)(H,67,68)(H,69,70)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124406
(CHEMBL3623450)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C68H80N14O20S/c1-35(83)57-66(99)79-49(27-37-13-6-3-7-14-37)67(100)82-24-10-17-51(82)65(98)80-50(58(70)91)33-103-34-54(86)74-46(29-41-28-40-15-8-9-16-42(40)72-41)62(95)76-45(25-36-11-4-2-5-12-36)61(94)75-43(22-23-55(87)88)59(92)71-32-53(85)73-44(26-38-18-20-39(21-19-38)68(101)102)60(93)78-48(31-56(89)90)63(96)77-47(30-52(69)84)64(97)81-57/h2-9,11-16,18-21,28,35,43-51,57,72,83H,10,17,22-27,29-34H2,1H3,(H2,69,84)(H2,70,91)(H,71,92)(H,73,85)(H,74,86)(H,75,94)(H,76,95)(H,77,96)(H,78,93)(H,79,99)(H,80,98)(H,81,97)(H,87,88)(H,89,90)(H,101,102)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250523
(CHEMBL4101397)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C49H64N12O17S/c50-36(63)20-33-48(77)56-28-8-4-5-17-52-37(64)15-13-30(54-39(66)24-79-23-35(42(51)71)61-44(28)73)45(74)58-32(18-25-6-2-1-3-7-25)47(76)57-29(14-16-40(67)68)43(72)53-22-38(65)55-31(19-26-9-11-27(62)12-10-26)46(75)60-34(21-41(69)70)49(78)59-33/h1-3,6-7,9-12,28-35,62H,4-5,8,13-24H2,(H2,50,63)(H2,51,71)(H,52,64)(H,53,72)(H,54,66)(H,55,65)(H,56,77)(H,57,76)(H,58,74)(H,59,78)(H,60,75)(H,61,73)(H,67,68)(H,69,70)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 350 m... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250518
(CHEMBL4093671)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C51H66N12O18S/c52-37(64)21-34-50(80)59-31-13-15-38(65)54-17-5-4-8-29(56-40(67)25-82-24-36(44(53)74)63-47(31)77)46(76)60-33(18-26-6-2-1-3-7-26)49(79)58-30(14-16-41(68)69)45(75)55-23-39(66)57-32(19-27-9-11-28(12-10-27)20-42(70)71)48(78)62-35(22-43(72)73)51(81)61-34/h1-3,6-7,9-12,29-36H,4-5,8,13-25H2,(H2,52,64)(H2,53,74)(H,54,65)(H,55,75)(H,56,67)(H,57,66)(H,58,79)(H,59,80)(H,60,76)(H,61,81)(H,62,78)(H,63,77)(H,68,69)(H,70,71)(H,72,73)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250522
(CHEMBL4083407)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCc3cn(CCC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O)nn3 |r| Show InChI InChI=1S/C49H62N14O17S/c50-37(65)17-33-47(77)55-29-7-4-14-63-20-27(61-62-63)21-80-22-35(54-39(67)24-81-23-36(42(51)72)60-44(29)74)49(79)57-32(15-25-5-2-1-3-6-25)46(76)56-30(12-13-40(68)69)43(73)52-19-38(66)53-31(16-26-8-10-28(64)11-9-26)45(75)59-34(18-41(70)71)48(78)58-33/h1-3,5-6,8-11,20,29-36,64H,4,7,12-19,21-24H2,(H2,50,65)(H2,51,72)(H,52,73)(H,53,66)(H,54,67)(H,55,77)(H,56,76)(H,57,79)(H,58,78)(H,59,75)(H,60,74)(H,68,69)(H,70,71)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334298
(CHEMBL1642691 | methyl 3-(6-benzoyl-3-hydroxyquino...)Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1 Show InChI InChI=1S/C28H21N3O7/c1-15-8-11-18(12-9-15)29-27(36)24(33)21(25(34)28(37)38-2)22-26(35)31-20-14-17(10-13-19(20)30-22)23(32)16-6-4-3-5-7-16/h3-14,21H,1-2H3,(H,29,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124405
(CHEMBL3623449)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250520
(CHEMBL4095044)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(28-39-31-70-42-16-9-8-15-41(39)42)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)71-32-53(85)72-44(26-38-18-20-40(83)21-19-38)60(93)77-48(30-56(89)90)63(96)76-47(29-52(68)84)64(97)80-57/h2-9,11-16,18-21,31,35,43-51,57,70,82-83H,10,17,22-30,32-34H2,1H3,(H2,68,84)(H2,69,91)(H,71,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged GRB7-SH2 (415 to 532 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in 50 mM sodium phosphate buff... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Grb7-SH2 domain (unknown origin) using 100 mM phosphate buffer by SPR analysis |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334294
(CHEMBL1642687 | methyl 3-(6-benzoyl-3-hydroxyquino...)Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1 Show InChI InChI=1S/C29H23N3O7/c1-15-9-10-16(2)20(13-15)31-28(37)25(34)22(26(35)29(38)39-3)23-27(36)32-21-14-18(11-12-19(21)30-23)24(33)17-7-5-4-6-8-17/h4-14,22H,1-3H3,(H,31,37)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124405
(CHEMBL3623449)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334297
(CHEMBL1642690 | methyl 5-(2-ethyl-6-isopropylpheny...)Show SMILES CCc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2[nH]c1=O Show InChI InChI=1S/C25H25N3O6/c1-5-14-9-8-10-15(13(2)3)19(14)28-24(32)21(29)18(22(30)25(33)34-4)20-23(31)27-17-12-7-6-11-16(17)26-20/h6-13,18H,5H2,1-4H3,(H,27,31)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.76E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334295
(CHEMBL1642688 | methyl 5-(2-cyano-4-nitrophenylami...)Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(cc1C#N)[N+]([O-])=O)c1nc2ccc(cc2[nH]c1=O)[N+]([O-])=O Show InChI InChI=1S/C21H12N6O10/c1-37-21(32)18(29)15(16-19(30)25-14-7-11(27(35)36)3-5-13(14)23-16)17(28)20(31)24-12-4-2-10(26(33)34)6-9(12)8-22/h2-7,15H,1H3,(H,24,31)(H,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.57E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124406
(CHEMBL3623450)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C68H80N14O20S/c1-35(83)57-66(99)79-49(27-37-13-6-3-7-14-37)67(100)82-24-10-17-51(82)65(98)80-50(58(70)91)33-103-34-54(86)74-46(29-41-28-40-15-8-9-16-42(40)72-41)62(95)76-45(25-36-11-4-2-5-12-36)61(94)75-43(22-23-55(87)88)59(92)71-32-53(85)73-44(26-38-18-20-39(21-19-38)68(101)102)60(93)78-48(31-56(89)90)63(96)77-47(30-52(69)84)64(97)81-57/h2-9,11-16,18-21,28,35,43-51,57,72,83H,10,17,22-27,29-34H2,1H3,(H2,69,84)(H2,70,91)(H,71,92)(H,73,85)(H,74,86)(H,75,94)(H,76,95)(H,77,96)(H,78,93)(H,79,99)(H,80,98)(H,81,97)(H,87,88)(H,89,90)(H,101,102)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.57E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334296
(CHEMBL1642689 | methyl 5-(3-acetylphenylamino)-3-(...)Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(c1)C(C)=O)c1nc2ccccc2[nH]c1=O Show InChI InChI=1S/C22H17N3O7/c1-11(26)12-6-5-7-13(10-12)23-21(30)18(27)16(19(28)22(31)32-2)17-20(29)25-15-9-4-3-8-14(15)24-17/h3-10,16H,1-2H3,(H,23,30)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.12E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250522
(CHEMBL4083407)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCc3cn(CCC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O)nn3 |r| Show InChI InChI=1S/C49H62N14O17S/c50-37(65)17-33-47(77)55-29-7-4-14-63-20-27(61-62-63)21-80-22-35(54-39(67)24-81-23-36(42(51)72)60-44(29)74)49(79)57-32(15-25-5-2-1-3-6-25)46(76)56-30(12-13-40(68)69)43(73)52-19-38(66)53-31(16-26-8-10-28(64)11-9-26)45(75)59-34(18-41(70)71)48(78)58-33/h1-3,5-6,8-11,20,29-36,64H,4,7,12-19,21-24H2,(H2,50,65)(H2,51,72)(H,52,73)(H,53,66)(H,54,67)(H,55,77)(H,56,76)(H,57,79)(H,58,78)(H,59,75)(H,60,74)(H,68,69)(H,70,71)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250523
(CHEMBL4101397)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N2)C(N)=O |r| Show InChI InChI=1S/C49H64N12O17S/c50-36(63)20-33-48(77)56-28-8-4-5-17-52-37(64)15-13-30(54-39(66)24-79-23-35(42(51)71)61-44(28)73)45(74)58-32(18-25-6-2-1-3-7-25)47(76)57-29(14-16-40(67)68)43(72)53-22-38(65)55-31(19-26-9-11-27(62)12-10-26)46(75)60-34(21-41(69)70)49(78)59-33/h1-3,6-7,9-12,28-35,62H,4-5,8,13-24H2,(H2,50,63)(H2,51,71)(H,52,64)(H,53,72)(H,54,66)(H,55,65)(H,56,77)(H,57,76)(H,58,74)(H,59,78)(H,60,75)(H,61,73)(H,67,68)(H,69,70)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.57E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presen... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50334299
(CHEMBL1642692 | methyl 3-(6-benzoyl-3-hydroxyquino...)Show SMILES COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1 Show InChI InChI=1S/C28H20N4O8/c1-40-28(39)24(35)20(23(34)27(38)31-17-10-6-5-9-16(17)25(29)36)21-26(37)32-19-13-15(11-12-18(19)30-21)22(33)14-7-3-2-4-8-14/h2-13,20H,1H3,(H2,29,36)(H,31,38)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry |
Bioorg Med Chem 19: 693-701 (2011)
Article DOI: 10.1016/j.bmc.2010.10.030
BindingDB Entry DOI: 10.7270/Q290242Q |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50250520
(CHEMBL4095044)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(28-39-31-70-42-16-9-8-15-41(39)42)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)71-32-53(85)72-44(26-38-18-20-40(83)21-19-38)60(93)77-48(30-56(89)90)63(96)76-47(29-52(68)84)64(97)80-57/h2-9,11-16,18-21,31,35,43-51,57,70,82-83H,10,17,22-30,32-34H2,1H3,(H2,68,84)(H2,69,91)(H,71,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged GRB7-SH2 (415 to 532 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in 1 mM sodium phosphate buffe... |
J Med Chem 60: 9349-9359 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01320
BindingDB Entry DOI: 10.7270/Q2FJ2K6N |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124405
(CHEMBL3623449)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124405
(CHEMBL3623449)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C69H82N14O20S/c1-36(84)59-68(102)80-50(27-38-13-6-3-7-14-38)69(103)83-24-10-17-52(83)67(101)81-51(60(71)94)34-104-35-55(87)75-47(30-42-29-41-15-8-9-16-43(41)73-42)64(98)77-46(25-37-11-4-2-5-12-37)63(97)76-44(22-23-56(88)89)61(95)72-33-54(86)74-45(26-39-18-20-40(21-19-39)28-57(90)91)62(96)79-49(32-58(92)93)65(99)78-48(31-53(70)85)66(100)82-59/h2-9,11-16,18-21,29,36,44-52,59,73,84H,10,17,22-28,30-35H2,1H3,(H2,70,85)(H2,71,94)(H,72,95)(H,74,86)(H,75,87)(H,76,97)(H,77,98)(H,78,99)(H,79,96)(H,80,102)(H,81,101)(H,82,100)(H,88,89)(H,90,91)(H,92,93)/t36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,59+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.73E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 350 m... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.47E+5 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM... |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 7
(Homo sapiens (Human)) | BDBM50124407
(CHEMBL3623448)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O |r| Show InChI InChI=1S/C67H80N14O19S/c1-35(82)57-66(99)78-49(27-37-13-6-3-7-14-37)67(100)81-24-10-17-51(81)65(98)79-50(58(69)91)33-101-34-54(86)73-46(29-40-28-39-15-8-9-16-42(39)71-40)62(95)75-45(25-36-11-4-2-5-12-36)61(94)74-43(22-23-55(87)88)59(92)70-32-53(85)72-44(26-38-18-20-41(83)21-19-38)60(93)77-48(31-56(89)90)63(96)76-47(30-52(68)84)64(97)80-57/h2-9,11-16,18-21,28,35,43-51,57,71,82-83H,10,17,22-27,29-34H2,1H3,(H2,68,84)(H2,69,91)(H,70,92)(H,72,85)(H,73,86)(H,74,94)(H,75,95)(H,76,96)(H,77,93)(H,78,99)(H,79,98)(H,80,97)(H,87,88)(H,89,90)/t35-,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.47E+5 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Grb7-SH2 domain (unknown origin) without using phosphate buffer by SPR analysis |
J Med Chem 58: 7707-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00609
BindingDB Entry DOI: 10.7270/Q23X88GG |
More data for this
Ligand-Target Pair | |
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