Found 8 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 |
|---|
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069336
(CHEMBL439120 | NELNLGRREE | NQLPpYNELNLGRREEpYDVLD)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C106H166N30O43P2/c1-48(2)36-64(125-99(165)70(44-78(111)140)128-94(160)65(37-49(3)4)126-91(157)63(28-32-82(146)147)124-98(164)69(43-77(110)139)129-97(163)68(41-54-19-23-56(24-20-54)179-181(175,176)177)131-101(167)74-16-13-35-136(74)103(169)72(39-51(7)8)133-93(159)60(25-29-75(108)137)120-86(152)57(107)42-76(109)138)87(153)118-47-79(141)119-58(14-11-33-116-105(112)113)88(154)121-59(15-12-34-117-106(114)115)89(155)122-61(26-30-80(142)143)90(156)123-62(27-31-81(144)145)92(158)127-67(40-53-17-21-55(22-18-53)178-180(172,173)174)96(162)130-71(45-83(148)149)100(166)135-85(52(9)10)102(168)132-66(38-50(5)6)95(161)134-73(104(170)171)46-84(150)151/h17-24,48-52,57-74,85H,11-16,25-47,107H2,1-10H3,(H2,108,137)(H2,109,138)(H2,110,139)(H2,111,140)(H,118,153)(H,119,141)(H,120,152)(H,121,154)(H,122,155)(H,123,156)(H,124,164)(H,125,165)(H,126,157)(H,127,158)(H,128,160)(H,129,163)(H,130,162)(H,131,167)(H,132,168)(H,133,159)(H,134,161)(H,135,166)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,116)(H4,114,115,117)(H2,172,173,174)(H2,175,176,177)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069340
(CHEMBL131256 | {4-[({[({[(Carbamoylmethyl-isobutyl...)Show SMILES CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(C)C)CC(=O)N(CC(C)C)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C32H54N5O8P/c1-7-9-10-11-29(39)37(18-26-12-14-27(15-13-26)23-46(43,44)45)21-30(40)34(8-2)20-31(41)36(17-25(5)6)22-32(42)35(16-24(3)4)19-28(33)38/h12-15,24-25H,7-11,16-23H2,1-6H3,(H2,33,38)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069343
(CHEMBL130109 | {4-[({[({[(Carbamoylmethyl-ethyl-ca...)Show SMILES CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C30H50N5O8P/c1-6-9-10-11-27(37)35(17-24-12-14-25(15-13-24)22-44(41,42)43)21-30(40)34(16-23(4)5)20-29(39)33(8-3)19-28(38)32(7-2)18-26(31)36/h12-15,23H,6-11,16-22H2,1-5H3,(H2,31,36)(H2,41,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069342
(CHEMBL264257 | {4-[({[[({[Carbamoylmethyl-(3-pheny...)Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C42H58N5O8P/c1-3-5-8-21-39(49)47(28-36-22-24-37(25-23-36)33-56(53,54)55)32-42(52)46(27-14-20-35-17-11-7-12-18-35)31-40(50)44(4-2)30-41(51)45(29-38(43)48)26-13-19-34-15-9-6-10-16-34/h6-7,9-12,15-18,22-25H,3-5,8,13-14,19-21,26-33H2,1-2H3,(H2,43,48)(H2,53,54,55) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069339
(CHEMBL205386 | {4-[({[[({[Carbamoylmethyl-(3-pheny...)Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(C)C)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C44H62N5O8P/c1-4-5-8-21-41(51)49(29-38-22-24-39(25-23-38)34-58(55,56)57)33-43(53)47(27-14-20-37-17-11-7-12-18-37)31-44(54)48(28-35(2)3)32-42(52)46(30-40(45)50)26-13-19-36-15-9-6-10-16-36/h6-7,9-12,15-18,22-25,35H,4-5,8,13-14,19-21,26-34H2,1-3H3,(H2,45,50)(H2,55,56,57) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069341
(CHEMBL131773 | {4-[({[{[{[Carbamoylmethyl-(3-pheny...)Show SMILES CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C49H64N5O8P/c1-2-3-7-26-46(56)54(34-43-27-29-44(30-28-43)39-63(60,61)62)38-49(59)53(33-16-25-42-21-12-6-13-22-42)37-48(58)52(32-15-24-41-19-10-5-11-20-41)36-47(57)51(35-45(50)55)31-14-23-40-17-8-4-9-18-40/h4-6,8-13,17-22,27-30H,2-3,7,14-16,23-26,31-39H2,1H3,(H2,50,55)(H2,60,61,62) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069337
(CHEMBL336975 | [4-({[({[[(Carbamoylmethyl-ethyl-ca...)Show SMILES CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C35H52N5O8P/c1-4-7-9-16-32(42)40(22-29-17-19-30(20-18-29)27-49(46,47)48)26-34(44)38(6-3)24-35(45)39(21-12-15-28-13-10-8-11-14-28)25-33(43)37(5-2)23-31(36)41/h8,10-11,13-14,17-20H,4-7,9,12,15-16,21-27H2,1-3H3,(H2,36,41)(H2,46,47,48) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50069338
(CHEMBL131086 | {4-[({[({[(Carbamoylmethyl-isobutyl...)Show SMILES CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC(C)C)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C32H54N5O8P/c1-7-9-10-11-29(39)37(18-26-12-14-27(15-13-26)23-46(43,44)45)22-32(42)36(17-25(5)6)21-30(40)34(8-2)20-31(41)35(16-24(3)4)19-28(33)38/h12-15,24-25H,7-11,16-23H2,1-6H3,(H2,33,38)(H2,43,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical Research Novartis
Curated by ChEMBL
| Assay Description
Inhibition of binding to human ZAP-70 SH2 domain |
Bioorg Med Chem Lett 8: 405-8 (1999)
BindingDB Entry DOI: 10.7270/Q2VT1R78 |
More data for this
Ligand-Target Pair | |
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