Found 18 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 SYK
(Homo sapiens (Human)) | BDBM50075735
(CHEMBL3415583)Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r| Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50075732
(CHEMBL3414584 | US9775839, 2.1)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50075733
(CHEMBL3415610 | US9775839, 8.5)Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201711
(CHEMBL3951922 | US9775839, 2.2)Show SMILES C[C@H](N)CNc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50075735
(CHEMBL3415583)Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r| Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of LCK activated GST-fused ZAP70 (unknown origin) expressed in fall armyworm sf9 cells preincubated for 10 mins followed by biotin-EQEDEPE... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201697
(CHEMBL3943181)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201709
(CHEMBL3961713)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(COc2ccccc2)c1 |r| Show InChI InChI=1S/C19H24N4O2/c20-16-8-4-5-9-17(16)23-14-10-13(18(19(21)24)22-11-14)12-25-15-6-2-1-3-7-15/h1-3,6-7,10-11,16-17,23H,4-5,8-9,12,20H2,(H2,21,24)/t16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201713
(CHEMBL3934210)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(\C=C\c2ccccc2)c1 |r| Show InChI InChI=1S/C20H24N4O/c21-17-8-4-5-9-18(17)24-16-12-15(19(20(22)25)23-13-16)11-10-14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,24H,4-5,8-9,21H2,(H2,22,25)/b11-10+/t17-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50075732
(CHEMBL3414584 | US9775839, 2.1)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human LRRK2 (970 to 2527 residues) expressed in baculovirus |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50075733
(CHEMBL3415610 | US9775839, 8.5)Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human LRRK2 (970 to 2527 residues) expressed in baculovirus |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50201697
(CHEMBL3943181)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant full length human CHK2 expressed in baculovirus |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50201697
(CHEMBL3943181)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human LRRK2 (970 to 2527 residues) expressed in baculovirus |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Testis-specific serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50201697
(CHEMBL3943181)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H21N7O/c19-10-5-1-2-6-11(10)22-14-9-21-15(17(20)26)16(25-14)18-23-12-7-3-4-8-13(12)24-18/h3-4,7-11H,1-2,5-6,19H2,(H2,20,26)(H,22,25)(H,23,24)/t10-,11+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of TSSK3 (unknown origin) |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201710
(CHEMBL3972739)Show SMILES C[C@H](N)CNc1cnc(C(N)=O)c(n1)-c1cc2ccccc2o1 |r| Show InChI InChI=1S/C16H17N5O2/c1-9(17)7-19-13-8-20-15(16(18)22)14(21-13)12-6-10-4-2-3-5-11(10)23-12/h2-6,8-9H,7,17H2,1H3,(H2,18,22)(H,19,21)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201708
(CHEMBL3925317)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H22N4O/c21-17-8-4-5-9-18(17)24-16-12-15(19(20(22)25)23-13-16)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,17-18,24H,4-5,8-9,21H2,(H2,22,25)/t17-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201714
(CHEMBL3935657)Show SMILES C[C@H](N)CNc1cnc(C(N)=O)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C12H17N7O/c1-7(13)3-15-9-5-16-11(12(14)20)10(18-9)8-4-17-19(2)6-8/h4-7H,3,13H2,1-2H3,(H2,14,20)(H,15,18)/t7-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50201712
(CHEMBL3963092)Show SMILES Cn1cc(cn1)-c1cc(N[C@@H]2CCCC[C@@H]2N)cnc1C(N)=O |r| Show InChI InChI=1S/C16H22N6O/c1-22-9-10(7-20-22)12-6-11(8-19-15(12)16(18)23)21-14-5-3-2-4-13(14)17/h6-9,13-14,21H,2-5,17H2,1H3,(H2,18,23)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b... |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50075733
(CHEMBL3415610 | US9775839, 8.5)Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
ACS Med Chem Lett 7: 1151-1155 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR |
More data for this
Ligand-Target Pair | |
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