Found 193 hits Enz. Inhib. hit(s) with all data for entry = 50002768 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 |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462718
(CHEMBL4237479)Show SMILES CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C25H30N4O2S/c1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21/h2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462710
(CHEMBL4251324)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462711
(CHEMBL4241204)Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C24H29N5O2S/c1-28-11-13-29(14-12-28)10-3-15-31-21-5-2-4-19(16-21)17-23(30)27-24-26-22(18-32-24)20-6-8-25-9-7-20/h2,4-9,16,18H,3,10-15,17H2,1H3,(H,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462716
(CHEMBL4240949)Show SMILES O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C22H25N5O2S/c28-21(26-22-25-20(16-30-22)18-4-6-23-7-5-18)15-17-2-1-3-19(14-17)29-13-12-27-10-8-24-9-11-27/h1-7,14,16,24H,8-13,15H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50097154
(CHEMBL3581121)Show InChI InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462715
(CHEMBL4241689)Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C23H27N5O2S/c1-27-9-11-28(12-10-27)13-14-30-20-4-2-3-18(15-20)16-22(29)26-23-25-21(17-31-23)19-5-7-24-8-6-19/h2-8,15,17H,9-14,16H2,1H3,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462712
(CHEMBL4249314)Show SMILES O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28/h4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462714
(CHEMBL4241299)Show SMILES O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H26N4O3S/c28-22(26-23-25-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-12-2-9-27-10-13-29-14-11-27/h1,3-8,15,17H,2,9-14,16H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462717
(CHEMBL4248852)Show SMILES O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C22H24N4O3S/c27-21(25-22-24-20(16-30-22)18-4-6-23-7-5-18)15-17-2-1-3-19(14-17)29-13-10-26-8-11-28-12-9-26/h1-7,14,16H,8-13,15H2,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462713
(CHEMBL4242549)Show SMILES O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H26N4O2S/c28-22(26-23-25-21(17-30-23)19-7-9-24-10-8-19)16-18-5-4-6-20(15-18)29-14-13-27-11-2-1-3-12-27/h4-10,15,17H,1-3,11-14,16H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462713
(CHEMBL4242549)Show SMILES O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H26N4O2S/c28-22(26-23-25-21(17-30-23)19-7-9-24-10-8-19)16-18-5-4-6-20(15-18)29-14-13-27-11-2-1-3-12-27/h4-10,15,17H,1-3,11-14,16H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50097154
(CHEMBL3581121)Show InChI InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462718
(CHEMBL4237479)Show SMILES CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C25H30N4O2S/c1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21/h2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462711
(CHEMBL4241204)Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C24H29N5O2S/c1-28-11-13-29(14-12-28)10-3-15-31-21-5-2-4-19(16-21)17-23(30)27-24-26-22(18-32-24)20-6-8-25-9-7-20/h2,4-9,16,18H,3,10-15,17H2,1H3,(H,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462717
(CHEMBL4248852)Show SMILES O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C22H24N4O3S/c27-21(25-22-24-20(16-30-22)18-4-6-23-7-5-18)15-17-2-1-3-19(14-17)29-13-10-26-8-11-28-12-9-26/h1-7,14,16H,8-13,15H2,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462716
(CHEMBL4240949)Show SMILES O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C22H25N5O2S/c28-21(26-22-25-20(16-30-22)18-4-6-23-7-5-18)15-17-2-1-3-19(14-17)29-13-12-27-10-8-24-9-11-27/h1-7,14,16,24H,8-13,15H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462715
(CHEMBL4241689)Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C23H27N5O2S/c1-27-9-11-28(12-10-27)13-14-30-20-4-2-3-18(15-20)16-22(29)26-23-25-21(17-31-23)19-5-7-24-8-6-19/h2-8,15,17H,9-14,16H2,1H3,(H,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462714
(CHEMBL4241299)Show SMILES O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H26N4O3S/c28-22(26-23-25-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-12-2-9-27-10-13-29-14-11-27/h1,3-8,15,17H,2,9-14,16H2,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462710
(CHEMBL4251324)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50462712
(CHEMBL4249314)Show SMILES O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28/h4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c... |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462710
(CHEMBL4251324)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR isolated from human A431 cells |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4626
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR isolated from human A431 cells |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of Bcr-Abl (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50175491
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of Bcr-Abl (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of MINK (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of IRR (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of FLT-1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PHK-gamma2 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of ABL1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of FGFR4 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fer
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of FER (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
PAS domain-containing serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PASK (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of MST1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of TIE2 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of FLT-4 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of HCK (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of NEK1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of KIT (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of INSR (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of TYRO3 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of FMS (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of MAPKAPK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 3
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of PAK3 (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | |