Found 229 hits with Last Name = 'vanderpool' and Initial = 'd' 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 |
|---|
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601067
(CHEMBL5208088 | US11702418, Example 6-4)Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601075
(CHEMBL5202472 | US11702418, Example 6-9)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601069
(CHEMBL5191446 | US11702418, Example 6-7)Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCN(C)C(=O)C1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601065
(CHEMBL5206295 | US11702418, Example 4-4)Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nnc(C)c2cc(OC)c(OC)cc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601076
(CHEMBL5209371 | US11702418, Example 6-12)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601072
(CHEMBL5176365 | US11702418, Example 9-2)Show SMILES C[C@@H](Nc1nnc(N(C)C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601083
(CHEMBL5193021)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM92906
(CHK1 compound 1)Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.75 | -49.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Pfizer
| Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst... |
Biochemistry 48: 9823-30 (2009)
Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601084
(CHEMBL5192659 | US11702418, Example 12-10)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601066
(CHEMBL5179610 | US11702418, Example 10-45)Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N(C)C)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601085
(CHEMBL5198950 | US11702418, Example 6-19)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)S(C)(=O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601091
(CHEMBL5171096 | US11702418, Example 4-1)Show SMILES COc1cc2c(C)nnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601077
(CHEMBL5176509 | US11702418, Example 12-50)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1F)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601068
(CHEMBL5176696)Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)C1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601064
(CHEMBL5174300 | US11702418, Example 1-14)Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nncc2cc(OC)c(OC)cc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM92906
(CHK1 compound 1)Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.14 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 20 |
Pfizer
| Assay Description
Surface plasmon resonance (SPR) biosensor binding studies were conducted using a Biacore 3000 instrument (GE Healtchare). |
Biochemistry 48: 9823-30 (2009)
Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601086
(CHEMBL5186883 | US11702418, Example 6-16)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601073
(CHEMBL5193110)Show SMILES C[C@@H](Nc1n[nH]c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601063
(CHEMBL5202863 | US11702418, Example 1-13)Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601079
(CHEMBL5191745 | US11702418, Example 16-3)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cc(N)cc(n1)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601089
(CHEMBL5198132)Show SMILES C[C@@H](Nc1nnc(C)c2cc(C#N)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601088
(CHEMBL5182064)Show SMILES C[C@@H](Nc1nnc(C)c2cc(Cl)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601087
(CHEMBL5187475)Show SMILES C[C@@H](Nc1nnc(C)c2cc(F)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601074
(CHEMBL5198767)Show SMILES C[C@@H](Nc1nn(C)c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23345
(1-(3,4-dichlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27| Show InChI InChI=1S/C25H24Cl2N2O5/c1-33-15-10-13-8-9-28-22(21(13)20(12-15)34-2)18-4-3-5-19(24(28)31)29(18)25(32)23(30)14-6-7-16(26)17(27)11-14/h6-7,10-12,18-19,22H,3-5,8-9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | -41.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23346
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)Show SMILES COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:12:14:16.17.18:22.35.20| Show InChI InChI=1S/C27H30N2O7/c1-33-17-11-16(12-18(13-17)34-2)25(30)27(32)29-20-6-5-7-21(29)26(31)28-9-8-15-10-19(35-3)14-22(36-4)23(15)24(20)28/h10-14,20-21,24H,5-9H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | -41.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601078
(CHEMBL5203468)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(n1)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601080
(CHEMBL5207802 | US11702418, Example 12-41)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccnc1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23347
(1-(3-chlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,17-d...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26| Show InChI InChI=1S/C25H25ClN2O5/c1-32-17-12-14-9-10-27-22(21(14)20(13-17)33-2)18-7-4-8-19(24(27)30)28(18)25(31)23(29)15-5-3-6-16(26)11-15/h3,5-6,11-13,18-19,22H,4,7-10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | -40.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601061
(CHEMBL5169564)Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3)C(F)(F)F)c2cc1OC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601082
(CHEMBL5190699)Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cn(C)nc1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23397
(4-(3,5-dimethoxyphenyl)-13-[2-oxo-2-(3,4,5-trimeth...)Show SMILES COc1cc(OC)cc(c1)N1C=C2C3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC1=O |t:12,TLB:19:18:14.15.16:37.12.35| Show InChI InChI=1S/C29H31N3O9/c1-37-18-11-17(12-19(13-18)38-2)30-14-22-20-7-6-8-21(28(35)31(22)15-25(30)33)32(20)29(36)26(34)16-9-23(39-3)27(41-5)24(10-16)40-4/h9-14,20-21H,6-8,15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23372
(17-[(3-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(Br)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-11-14-9-10-25-22(21(14)20(13-16)31-2)18-7-4-8-19(23(25)27)26(18)32(28,29)17-6-3-5-15(24)12-17/h3,5-6,11-13,18-19,22H,4,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601070
(CHEMBL5183207)Show SMILES C[C@@H](Nc1nnc(c2ccc(cc12)N1CCNCC1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23348
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.29| Show InChI InChI=1S/C27H30N2O7/c1-33-17-12-15-10-11-28-24(23(15)22(14-17)36-4)18-6-5-7-19(26(28)31)29(18)27(32)25(30)16-8-9-20(34-2)21(13-16)35-3/h8-9,12-14,18-19,24H,5-7,10-11H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | -39.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23335
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.31| Show InChI InChI=1S/C28H32N2O8/c1-34-17-11-15-9-10-29-24(23(15)20(14-17)35-2)18-7-6-8-19(27(29)32)30(18)28(33)25(31)16-12-21(36-3)26(38-5)22(13-16)37-4/h11-14,18-19,24H,6-10H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 69 | -39.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23349
(1-(4-bromophenyl)-2-{4,6-dimethoxy-12-oxo-11,17-di...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26| Show InChI InChI=1S/C25H25BrN2O5/c1-32-17-12-15-10-11-27-22(21(15)20(13-17)33-2)18-4-3-5-19(24(27)30)28(18)25(31)23(29)14-6-8-16(26)9-7-14/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | -39.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23350
(1-(4-chlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,17-d...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26| Show InChI InChI=1S/C25H25ClN2O5/c1-32-17-12-15-10-11-27-22(21(15)20(13-17)33-2)18-4-3-5-19(24(27)30)28(18)25(31)23(29)14-6-8-16(26)9-7-14/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | -39.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601060
(CHEMBL5200949)Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23373
(4-({4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11....)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26| Show InChI InChI=1S/C24H25N3O5S/c1-31-17-12-16-10-11-26-23(22(16)21(13-17)32-2)19-4-3-5-20(24(26)28)27(19)33(29,30)18-8-6-15(14-25)7-9-18/h6-9,12-13,19-20,23H,3-5,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23374
(4,6-dimethoxy-17-[(4-methylbenzene)sulfonyl]-11,17...)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(C)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C24H28N2O5S/c1-15-7-9-18(10-8-15)32(28,29)26-19-5-4-6-20(26)24(27)25-12-11-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h7-10,13-14,19-20,23H,4-6,11-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23336
(1-{5-methyl-12-oxo-11,17-diazatetracyclo[11.3.1.0^...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(C)cc3C21 |TLB:14:16:18.19.20:24.34.22| Show InChI InChI=1S/C27H30N2O6/c1-15-8-9-16-10-11-28-23(18(16)12-15)19-6-5-7-20(26(28)31)29(19)27(32)24(30)17-13-21(33-2)25(35-4)22(14-17)34-3/h8-9,12-14,19-20,23H,5-7,10-11H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | -39.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23375
(4,6-dimethoxy-17-[(4-phenylbenzene)sulfonyl]-11,17...)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.30| Show InChI InChI=1S/C29H30N2O5S/c1-35-22-17-21-15-16-30-28(27(21)26(18-22)36-2)24-9-6-10-25(29(30)32)31(24)37(33,34)23-13-11-20(12-14-23)19-7-4-3-5-8-19/h3-5,7-8,11-14,17-18,24-25,28H,6,9-10,15-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23365
(17-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(F)(F)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.32| Show InChI InChI=1S/C28H32F2N2O7/c1-35-17-11-15-9-10-31-24(23(15)20(14-17)36-2)18-7-6-8-19(26(31)33)32(18)27(34)28(29,30)16-12-21(37-3)25(39-5)22(13-16)38-4/h11-14,18-19,24H,6-10H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23376
(17-[(4-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-12-14-10-11-25-22(21(14)20(13-16)31-2)18-4-3-5-19(23(25)27)26(18)32(28,29)17-8-6-15(24)7-9-17/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Son of sevenless homolog 1
(Homo sapiens (Human)) | BDBM50601090
(CHEMBL5185048 | US11702418, Example 19-2)Show SMILES C[C@@H](Nc1nnc(C)c2cc(c(cc12)N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23351
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C25H26N2O5/c1-31-17-13-16-11-12-26-22(21(16)20(14-17)32-2)18-9-6-10-19(24(26)29)27(18)25(30)23(28)15-7-4-3-5-8-15/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | -38.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23377
(4,6-dimethoxy-17-[(3-methylbenzene)sulfonyl]-11,17...)Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(C)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C24H28N2O5S/c1-15-6-4-7-18(12-15)32(28,29)26-19-8-5-9-20(26)24(27)25-11-10-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h4,6-7,12-14,19-20,23H,5,8-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM23337
(1-{7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0...)Show SMILES COc1cccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc12 |TLB:14:13:9.10.11:32.7.30| Show InChI InChI=1S/C27H30N2O7/c1-33-20-10-5-7-17-16(20)11-12-28-23(17)18-8-6-9-19(26(28)31)29(18)27(32)24(30)15-13-21(34-2)25(36-4)22(14-15)35-3/h5,7,10,13-14,18-19,23H,6,8-9,11-12H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 105 | -38.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 15 |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Bos taurus (bovine)) | BDBM23367
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24| Show InChI InChI=1S/C23H24N2O5S/c1-29-14-11-13-8-9-24-20(19(13)17(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)18-7-4-10-31-18/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat... |
J Med Chem 49: 1202-6 (2006)
Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9 |
More data for this
Ligand-Target Pair | |
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