Found 12 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 |
|---|
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117496
(CHEMBL429171 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O10/c1-6-27(4)36(45(73)65-37(46(74)75)38(66)29-14-8-7-9-15-29)64-44(72)35(22-26(2)3)63-43(71)34(18-13-21-57-48(53)54)62-42(70)33(17-12-20-56-47(51)52)61-41(69)32(16-10-11-19-49)60-39(67)28(5)59-40(68)31(50)23-30-24-55-25-58-30/h7-9,14-15,24-28,31-38,66H,6,10-13,16-23,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117492
(CHEMBL267119 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C48H83N17O8/c1-6-29(4)39(46(73)60-33(26-66)23-31-14-8-7-9-15-31)65-45(72)38(22-28(2)3)64-44(71)37(18-13-21-57-48(53)54)63-43(70)36(17-12-20-56-47(51)52)62-42(69)35(16-10-11-19-49)61-40(67)30(5)59-41(68)34(50)24-32-25-55-27-58-32/h7-9,14-15,25,27-30,33-39,66H,6,10-13,16-24,26,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,73)(H,61,67)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t29-,30-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117488
(CHEMBL217362 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-Phe-N...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H82N18O8/c1-6-28(4)38(46(74)64-36(39(51)67)23-30-14-8-7-9-15-30)66-45(73)37(22-27(2)3)65-44(72)35(18-13-21-58-48(54)55)63-43(71)34(17-12-20-57-47(52)53)62-42(70)33(16-10-11-19-49)61-40(68)29(5)60-41(69)32(50)24-31-25-56-26-59-31/h7-9,14-15,25-29,32-38H,6,10-13,16-24,49-50H2,1-5H3,(H2,51,67)(H,56,59)(H,60,69)(H,61,68)(H,62,70)(H,63,71)(H,64,74)(H,65,72)(H,66,73)(H4,52,53,57)(H4,54,55,58)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117490
(CHEMBL384574 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(Z)-D...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:64.65| Show InChI InChI=1S/C48H79N17O9/c1-6-28(4)38(45(72)64-37(46(73)74)23-30-14-8-7-9-15-30)65-44(71)36(22-27(2)3)63-43(70)35(18-13-21-57-48(53)54)62-42(69)34(17-12-20-56-47(51)52)61-41(68)33(16-10-11-19-49)60-39(66)29(5)59-40(67)32(50)24-31-25-55-26-58-31/h7-9,14-15,23,25-29,32-36,38H,6,10-13,16-22,24,49-50H2,1-5H3,(H,55,58)(H,59,67)(H,60,66)(H,61,68)(H,62,69)(H,63,70)(H,64,72)(H,65,71)(H,73,74)(H4,51,52,56)(H4,53,54,57)/t28-,29-,32-,33-,34-,35-,36-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117487
(CHEMBL216619 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39+,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117499
(CHEMBL412632 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O10/c1-6-27(4)36(45(73)65-37(46(74)75)38(66)29-14-8-7-9-15-29)64-44(72)35(22-26(2)3)63-43(71)34(18-13-21-57-48(53)54)62-42(70)33(17-12-20-56-47(51)52)61-41(69)32(16-10-11-19-49)60-39(67)28(5)59-40(68)31(50)23-30-24-55-25-58-30/h7-9,14-15,24-28,31-38,66H,6,10-13,16-23,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117495
(CHEMBL385674 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](OC(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117494
(CHEMBL267588 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C48H83N17O9/c1-5-29(4)39(46(74)59-32(25-66)22-30-13-7-6-8-14-30)65-44(72)37(21-28(2)3)63-43(71)36(17-12-20-57-48(53)54)61-42(70)35(16-11-19-56-47(51)52)60-41(69)34(15-9-10-18-49)62-45(73)38(26-67)64-40(68)33(50)23-31-24-55-27-58-31/h6-8,13-14,24,27-29,32-39,66-67H,5,9-12,15-23,25-26,49-50H2,1-4H3,(H,55,58)(H,59,74)(H,60,69)(H,61,70)(H,62,73)(H,63,71)(H,64,68)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t29-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117497
(CHEMBL266900 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117498
(CHEMBL415127 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(D)-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117491
(CHEMBL263837 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(Z)-D...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:65.66| Show InChI InChI=1S/C48H79N17O10/c1-5-28(4)38(45(73)63-36(46(74)75)22-29-13-7-6-8-14-29)65-43(71)35(21-27(2)3)62-42(70)34(17-12-20-57-48(53)54)60-41(69)33(16-11-19-56-47(51)52)59-40(68)32(15-9-10-18-49)61-44(72)37(25-66)64-39(67)31(50)23-30-24-55-26-58-30/h6-8,13-14,22,24,26-28,31-35,37-38,66H,5,9-12,15-21,23,25,49-50H2,1-4H3,(H,55,58)(H,59,68)(H,60,69)(H,61,72)(H,62,70)(H,63,73)(H,64,67)(H,65,71)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t28-,31-,32-,33-,34-,35-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50117493
(CHEMBL2369934 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-Phe-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:4.4,38.43,16.23,53.53,2.2,wD:47.49,8.12,27.34,64.64,(19.9,-.05,;19.9,-1.61,;18.56,-2.39,;17.23,-1.62,;18.59,-3.93,;17.23,-4.71,;15.9,-3.93,;15.9,-2.39,;14.57,-4.72,;14.57,-6.26,;15.64,-7.35,;15.25,-8.83,;17.14,-6.94,;13.24,-3.95,;11.9,-4.72,;11.9,-6.26,;10.57,-3.96,;10.57,-2.41,;11.65,-1.31,;11.65,.23,;12.98,1.01,;12.98,2.55,;11.64,3.32,;14.31,3.33,;9.24,-4.73,;7.88,-3.96,;7.88,-2.42,;6.55,-4.74,;6.55,-6.29,;7.88,-7.06,;7.88,-8.6,;9.22,-9.37,;9.19,-10.91,;7.86,-11.67,;10.52,-11.69,;5.22,-3.97,;3.89,-4.74,;3.89,-6.29,;2.56,-3.97,;2.53,-2.43,;3.86,-1.66,;3.86,-.12,;5.2,.67,;5.17,2.21,;1.2,-4.74,;-.13,-3.96,;-.11,-2.42,;-1.46,-4.72,;-1.46,-6.26,;-.39,-7.35,;-2.8,-3.95,;-4.13,-4.71,;-4.15,-6.25,;-5.46,-3.93,;-6.79,-4.7,;-5.46,-2.39,;-6.79,-1.62,;-8.2,-2.24,;-9.22,-1.1,;-8.45,.23,;-6.96,-.08,;19.92,-4.7,;19.9,-6.19,;21.25,-3.93,;22.58,-4.7,;22.58,-6.24,;23.33,-7.57,;24.87,-7.57,;25.62,-8.89,;24.85,-10.22,;23.33,-10.22,;22.56,-8.89,;23.92,-3.91,;25.25,-4.67,;23.92,-2.37,)| Show InChI InChI=1S/C48H82N18O9/c1-5-28(4)38(46(75)63-35(39(51)68)22-29-13-7-6-8-14-29)66-44(73)36(21-27(2)3)64-43(72)34(17-12-20-58-48(54)55)61-42(71)33(16-11-19-57-47(52)53)60-41(70)32(15-9-10-18-49)62-45(74)37(25-67)65-40(69)31(50)23-30-24-56-26-59-30/h6-8,13-14,24,26-28,31-38,67H,5,9-12,15-23,25,49-50H2,1-4H3,(H2,51,68)(H,56,59)(H,60,70)(H,61,71)(H,62,74)(H,63,75)(H,64,72)(H,65,69)(H,66,73)(H4,52,53,57)(H4,54,55,58)/t28-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein |
Bioorg Med Chem Lett 12: 2501-5 (2002)
BindingDB Entry DOI: 10.7270/Q2CC101N |
More data for this
Ligand-Target Pair | |
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