Found 10 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 |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130039
(CHEMBL3629276)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130038
(CHEMBL3629277)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-8-23-19-17(11)18(24-10-25-19)13-4-6-16(15(21)7-13)27-20(28)26-14-5-3-12(2)22-9-14/h3-10H,1-2H3,(H,23,24,25)(H2,26,27,28) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130037
(CHEMBL3629278)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-9-23-19-17(11)18(24-10-25-19)13-3-4-16(15(21)8-13)27-20(28)26-14-5-6-22-12(2)7-14/h3-10H,1-2H3,(H,23,24,25)(H2,22,26,27,28) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130036
(CHEMBL3629279)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12 Show InChI InChI=1S/C18H14FN7O/c1-10-5-22-17-15(10)16(23-9-24-17)11-2-3-14(13(19)4-11)26-18(27)25-12-6-20-8-21-7-12/h2-9H,1H3,(H,22,23,24)(H2,25,26,27) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130035
(CHEMBL3629280)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12 Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-7-8-18(17(23)11-15)27-22(30)28(9-10-29)16-5-3-2-4-6-16/h2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50130036
(CHEMBL3629279)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12 Show InChI InChI=1S/C18H14FN7O/c1-10-5-22-17-15(10)16(23-9-24-17)11-2-3-14(13(19)4-11)26-18(27)25-12-6-20-8-21-7-12/h2-9H,1H3,(H,22,23,24)(H2,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50130037
(CHEMBL3629278)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-9-23-19-17(11)18(24-10-25-19)13-3-4-16(15(21)8-13)27-20(28)26-14-5-6-22-12(2)7-14/h3-10H,1-2H3,(H,23,24,25)(H2,22,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50130038
(CHEMBL3629277)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-8-23-19-17(11)18(24-10-25-19)13-4-6-16(15(21)7-13)27-20(28)26-14-5-3-12(2)22-9-14/h3-10H,1-2H3,(H,23,24,25)(H2,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50130035
(CHEMBL3629280)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12 Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-7-8-18(17(23)11-15)27-22(30)28(9-10-29)16-5-3-2-4-6-16/h2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50130039
(CHEMBL3629276)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041 BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this Ligand-Target Pair | |