Found 16 hits of Enzyme Inhibition Constant Data 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
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 2
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.60E+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 Grb2-SH2 domain (58 to 160 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 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 2
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+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 Grb2-SH2 domain (58 to 160 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 | 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 | 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)) | 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 10
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.20E+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 Grb10-SH2 domain (471 to 594 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 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)) | 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)) | 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 2
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.40E+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 Grb2-SH2 domain (58 to 160 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 | |
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