Found 2 hits in this display 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 |
|---|
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50481980
(CHEMBL1089627)Show SMILES [H][C@@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)OP(O)(O)=O |r| Show InChI InChI=1S/C64H108N29O15P/c1-34(108-109(105,106)107)48-58(104)93-31-5-4-20-46(93)57(103)91-45(33-35-21-22-36-12-2-3-13-37(36)32-35)56(102)89-42(18-10-29-82-63(74)75)52(98)85-39(15-7-26-79-60(68)69)49(95)84-38(14-6-25-78-59(66)67)50(96)86-41(17-9-28-81-62(72)73)53(99)90-44(23-24-47(65)94)54(100)87-40(16-8-27-80-61(70)71)51(97)88-43(55(101)92-48)19-11-30-83-64(76)77/h2-3,12-13,21-22,32,34,38-46,48H,4-11,14-20,23-31,33H2,1H3,(H2,65,94)(H,84,95)(H,85,98)(H,86,96)(H,87,100)(H,88,97)(H,89,102)(H,90,99)(H,91,103)(H,92,101)(H4,66,67,78)(H4,68,69,79)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)(H2,105,106,107)/t34-,38-,39-,40-,41-,42-,43-,44+,45+,46+,48-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 S16A/Y23A mutant expressed in Escherichia coli BL21(DE3) by chymotrypsin-coupled PPIase inhibition assay |
J Med Chem 53: 2494-501 (2010)
Article DOI: 10.1021/jm901778v
BindingDB Entry DOI: 10.7270/Q2154KVD |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50481980
(CHEMBL1089627)Show SMILES [H][C@@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)OP(O)(O)=O |r| Show InChI InChI=1S/C64H108N29O15P/c1-34(108-109(105,106)107)48-58(104)93-31-5-4-20-46(93)57(103)91-45(33-35-21-22-36-12-2-3-13-37(36)32-35)56(102)89-42(18-10-29-82-63(74)75)52(98)85-39(15-7-26-79-60(68)69)49(95)84-38(14-6-25-78-59(66)67)50(96)86-41(17-9-28-81-62(72)73)53(99)90-44(23-24-47(65)94)54(100)87-40(16-8-27-80-61(70)71)51(97)88-43(55(101)92-48)19-11-30-83-64(76)77/h2-3,12-13,21-22,32,34,38-46,48H,4-11,14-20,23-31,33H2,1H3,(H2,65,94)(H,84,95)(H,85,98)(H,86,96)(H,87,100)(H,88,97)(H,89,102)(H,90,99)(H,91,103)(H,92,101)(H4,66,67,78)(H4,68,69,79)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)(H2,105,106,107)/t34-,38-,39-,40-,41-,42-,43-,44+,45+,46+,48-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description
Binding affinity to human Pin1 S16A/Y23A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration colorimetry |
J Med Chem 53: 2494-501 (2010)
Article DOI: 10.1021/jm901778v
BindingDB Entry DOI: 10.7270/Q2154KVD |
More data for this
Ligand-Target Pair | |