Found 241 hits with Last Name = 'cheasty' and Initial = 'a' 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 |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124354
(CHEMBL3623439)Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200622
(CHEMBL3917975)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124355
(CHEMBL3623442)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50124354
(CHEMBL3623439)Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged LIMK2 |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200569
(CHEMBL3946146)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23ClF2N4O2/c1-16(18-6-8-19(26)9-7-18)30-23(33)13-12-22-31-21-3-2-14-29-24(21)32(22)15-17-4-10-20(11-5-17)34-25(27)28/h2-11,14,16,25H,12-13,15H2,1H3,(H,30,33)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200572
(CHEMBL3889955)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200579
(CHEMBL3917466)Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124352
(CHEMBL3623441)Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124400
(CHEMBL3623438)Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187693
(CHEMBL3186509)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50124355
(CHEMBL3623442)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged LIMK2 |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200582
(CHEMBL3944813)Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H25ClN4O2/c1-17(19-7-9-20(26)10-8-19)28-24(31)14-13-23-29-22-4-3-15-27-25(22)30(23)16-18-5-11-21(32-2)12-6-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,31)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200624
(CHEMBL3912114)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124399
(CHEMBL3623437)Show SMILES C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200664
(CHEMBL3983022)Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H20ClF3N4O3/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-34-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124397
(CHEMBL3623435)Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22) | PDB
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200650
(CHEMBL3926932)Show SMILES OC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClFN4O2/c25-18-7-5-17(6-8-18)21(15-31)29-23(32)12-11-22-28-20-2-1-13-27-24(20)30(22)14-16-3-9-19(26)10-4-16/h1-10,13,21,31H,11-12,14-15H2,(H,29,32)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200666
(CHEMBL3916898)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM109086
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514979
(CHEMBL4457936)Show SMILES O=C(CC1CCOCC1)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C23H28N8O3S2/c32-18(12-15-4-2-1-3-5-15)25-21-28-27-20(35-21)24-17-6-9-31(14-17)23-30-29-22(36-23)26-19(33)13-16-7-10-34-11-8-16/h1-5,16-17H,6-14H2,(H,24,27)(H,25,28,32)(H,26,29,33)/t17-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124353
(CHEMBL3623443)Show SMILES COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514986
(CHEMBL4437956)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCC[C@H]2Nc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(14-16-8-3-1-4-9-16)28-24-32-30-22(36-24)26-18-12-7-13-19(18)27-23-31-33-25(37-23)29-21(35)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200578
(CHEMBL3982059)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H22F4N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249785
(CHEMBL4069814)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1 Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
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 |
University College London
Curated by ChEMBL
| Assay Description Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200651
(CHEMBL3964183)Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514985
(CHEMBL4573635)Show SMILES C[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7OS/c1-13(14-6-3-2-4-7-14)17(27)22-19-25-24-18(28-19)21-15-9-11-26(12-15)16-8-5-10-20-23-16/h2-8,10,13,15H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200651
(CHEMBL3964183)Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200580
(CHEMBL3907343)Show SMILES C[C@H](NC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClFN5O/c1-15(17-6-8-18(24)9-7-17)28-23(31)27-13-21-29-20-3-2-12-26-22(20)30(21)14-16-4-10-19(25)11-5-16/h2-12,15H,13-14H2,1H3,(H2,27,28,31)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124363
(CHEMBL3622874)Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C19H18F3N3OS/c1-3-7-24-18-25-11-17(27-18)14-6-8-23-10-15(14)13-5-4-12(26-2)9-16(13)19(20,21)22/h4-6,8-11H,3,7H2,1-2H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514975
(CHEMBL4473143)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-15-19-11-12-33(16-19)25-32-31-24(37-25)28-21(35)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)/t19-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150109
(CHEMBL3770355)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200622
(CHEMBL3917975)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peregrin
(Homo sapiens (Human)) | BDBM50267002
(CHEMBL4097011)Show SMILES CCn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2cc(C)c1=O Show InChI InChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124356
(CHEMBL3622867)Show InChI InChI=1S/C17H16ClN3S/c1-2-8-20-17-21-11-16(22-17)13-7-9-19-10-14(13)12-5-3-4-6-15(12)18/h3-7,9-11H,2,8H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200572
(CHEMBL3889955)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514977
(CHEMBL4461749)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NCCNc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C22H22N8O2S2/c31-17(13-15-7-3-1-4-8-15)25-21-29-27-19(33-21)23-11-12-24-20-28-30-22(34-20)26-18(32)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,28)(H,25,29,31)(H,26,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514982
(CHEMBL4469711)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C18H19N7OS/c26-16(11-13-5-2-1-3-6-13)21-18-24-23-17(27-18)20-14-8-10-25(12-14)15-7-4-9-19-22-15/h1-7,9,14H,8,10-12H2,(H,20,23)(H,21,24,26)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200661
(CHEMBL3907905)Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200579
(CHEMBL3917466)Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124351
(CHEMBL3623440)Show InChI InChI=1S/C16H12ClN3OS/c1-10(21)20-16-19-9-15(22-16)12-6-7-18-8-13(12)11-4-2-3-5-14(11)17/h2-9H,1H3,(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514978
(CHEMBL4451434)Show SMILES CN(CCN(C)c1nnc(NC(=O)Cc2ccccc2)s1)c1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C24H26N8O2S2/c1-31(23-29-27-21(35-23)25-19(33)15-17-9-5-3-6-10-17)13-14-32(2)24-30-28-22(36-24)26-20(34)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,25,27,33)(H,26,28,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260 BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200650
(CHEMBL3926932)Show SMILES OC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClFN4O2/c25-18-7-5-17(6-8-18)21(15-31)29-23(32)12-11-22-28-20-2-1-13-27-24(20)30(22)14-16-3-9-19(26)10-4-16/h1-10,13,21,31H,11-12,14-15H2,(H,29,32)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200570
(CHEMBL3953575)Show SMILES Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H21ClN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200578
(CHEMBL3982059)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H22F4N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200624
(CHEMBL3912114)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124362
(CHEMBL3622873)Show InChI InChI=1S/C18H16F3N3S/c1-2-8-23-17-24-11-16(25-17)13-7-9-22-10-14(13)12-5-3-4-6-15(12)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242 BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200622
(CHEMBL3917975)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as decrease in LPA C18:1 levels after 24 hrs by horseradish peroxidase/choline oxidase-coupled assay |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200667
(CHEMBL3954360)Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this Ligand-Target Pair | |