Found 93 hits with Last Name = 'cook' and Initial = 'tg' 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)) | BDBM50319027
((+/-)-3-(amino(2-(2-aminopyrimidin-4-yl)-3-methylb...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319035
((+/-)-4-(5-(1-aminobutyl)-3-methylbenzo[b]thiophen...)Show InChI InChI=1S/C17H20N4S/c1-3-4-13(18)11-5-6-15-12(9-11)10(2)16(22-15)14-7-8-20-17(19)21-14/h5-9,13H,3-4,18H2,1-2H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319021
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)Show InChI InChI=1S/C20H17N3OS/c1-12-16-11-14(9-13-3-2-4-15(24)10-13)5-6-18(16)25-19(12)17-7-8-22-20(21)23-17/h2-8,10-11,24H,9H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319025
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)Show InChI InChI=1S/C19H16N4OS/c1-11-15-10-13(22-12-3-2-4-14(24)9-12)5-6-17(15)25-18(11)16-7-8-21-19(20)23-16/h2-10,22,24H,1H3,(H2,20,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319026
((+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methyl...)Show SMILES COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319031
((+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]t...)Show InChI InChI=1S/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319029
((+/-)--4-(5-(amino(3-chlorophenyl)methyl)-3-methyl...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H17ClN4S/c1-11-15-10-13(18(22)12-3-2-4-14(21)9-12)5-6-17(15)26-19(11)16-7-8-24-20(23)25-16/h2-10,18H,22H2,1H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14028
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319037
((+/-)-4-(5-(1-amino-3-methylbutyl)-3-methylbenzo[b...)Show InChI InChI=1S/C18H22N4S/c1-10(2)8-14(19)12-4-5-16-13(9-12)11(3)17(23-16)15-6-7-21-18(20)22-15/h4-7,9-10,14H,8,19H2,1-3H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319005
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319030
((+/-)--4-(5-(amino(m-tolyl)methyl)-3-methylbenzo[b...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4S/c1-12-4-3-5-14(10-12)19(22)15-6-7-18-16(11-15)13(2)20(26-18)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319036
((+/-)-4-(5-(1-amino-2-methylpropyl)-3-methylbenzo[...)Show InChI InChI=1S/C17H20N4S/c1-9(2)15(18)11-4-5-14-12(8-11)10(3)16(22-14)13-6-7-20-17(19)21-13/h4-9,15H,18H2,1-3H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319022
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C21H17N3O2S/c1-12-16-11-14(9-13-3-2-4-15(10-13)20(25)26)5-6-18(16)27-19(12)17-7-8-23-21(22)24-17/h2-8,10-11H,9H2,1H3,(H,25,26)(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319028
((+/-)--4-(5-(amino(4-methoxyphenyl)methyl)-3-methy...)Show SMILES COc1ccc(cc1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-3-6-15(26-2)7-4-13)5-8-18(16)27-20(12)17-9-10-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319034
((+/-)-4-(5-(1-aminopropyl)-3-methylbenzo[b]thiophe...)Show InChI InChI=1S/C16H18N4S/c1-3-12(17)10-4-5-14-11(8-10)9(2)15(21-14)13-6-7-19-16(18)20-13/h4-8,12H,3,17H2,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319018
(4-(5-(3-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)Show SMILES COc1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1 Show InChI InChI=1S/C21H19N3OS/c1-13-17-12-15(10-14-4-3-5-16(11-14)25-2)6-7-19(17)26-20(13)18-8-9-23-21(22)24-18/h3-9,11-12H,10H2,1-2H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319024
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)Show InChI InChI=1S/C19H15N3O2S/c1-11-15-10-14(24-13-4-2-3-12(23)9-13)5-6-17(15)25-18(11)16-7-8-21-19(20)22-16/h2-10,23H,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319033
((+/-)-4-(5-(1-aminoethyl)-3-methylbenzo[b]thiophen...)Show InChI InChI=1S/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24170
(3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,...)Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319016
(4-(5-benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidi...)Show InChI InChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319007
(4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-N-methy...)Show InChI InChI=1S/C14H12ClN3S/c1-8-10-7-9(15)3-4-12(10)19-13(8)11-5-6-17-14(16-2)18-11/h3-7H,1-2H3,(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319006
(4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)pyrimidi...)Show InChI InChI=1S/C13H10ClN3S/c1-7-9-6-8(14)2-3-11(9)18-12(7)10-4-5-16-13(15)17-10/h2-6H,1H3,(H2,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24152
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...)Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319032
(4-(5-(aminomethyl)-3-methylbenzo[b]thiophen-2-yl)p...)Show InChI InChI=1S/C14H14N4S/c1-8-10-6-9(7-15)2-3-12(10)19-13(8)11-4-5-17-14(16)18-11/h2-6H,7,15H2,1H3,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24165
(N-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1...)Show InChI InChI=1S/C19H22N2O2S2/c22-17(15-9-6-12-24-15)20-18-16(13-7-2-3-8-14(13)25-18)19(23)21-10-4-1-5-11-21/h6,9,12H,1-5,7-8,10-11H2,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319014
(4-(3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine...)Show InChI InChI=1S/C13H11N3S/c1-8-9-4-2-3-5-11(9)17-12(8)10-6-7-15-13(14)16-10/h2-7H,1H3,(H2,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24174
(3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...)Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24179
(N-[3-(diethylcarbamoyl)-4H,5H,7H-thieno[2,3-c]thio...)Show InChI InChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24173
(N-[3-(diethylcarbamoyl)-5-methyl-4H,5H,6H-cyclopen...)Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-12-9-11(3)10-14(12)24-17(15)19-16(21)13-7-6-8-23-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24164
(N-[3-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-...)Show InChI InChI=1S/C18H20N2O2S2/c21-16(14-8-5-11-23-14)19-17-15(18(22)20-9-3-4-10-20)12-6-1-2-7-13(12)24-17/h5,8,11H,1-4,6-7,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24153
(N-[3-(diethylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[...)Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319015
(4-(3-methyl-5-phenylbenzo[b]thiophen-2-yl)pyrimidi...)Show InChI InChI=1S/C19H15N3S/c1-12-15-11-14(13-5-3-2-4-6-13)7-8-17(15)23-18(12)16-9-10-21-19(20)22-16/h2-11H,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24166
(N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1...)Show InChI InChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24171
(3-N,3-N-diethyl-6-methyl-2-N-(thiophene-2-)-4,5,6,...)Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-9-8-12(3)11-15(13)25-18(16)20-17(22)14-7-6-10-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24163
(3-N,3-N-dimethyl-2-N-(thiophene-2-)-4,5,6,7-tetrah...)Show InChI InChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319012
(4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1H-pyrr...)Show InChI InChI=1S/C16H11ClN2S/c1-9-13-8-10(17)2-3-14(13)20-15(9)11-4-6-18-16-12(11)5-7-19-16/h2-8H,1H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319019
(4-(5-(4-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)Show SMILES COc1ccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)cc1 Show InChI InChI=1S/C21H19N3OS/c1-13-17-12-15(11-14-3-6-16(25-2)7-4-14)5-8-19(17)26-20(13)18-9-10-23-21(22)24-18/h3-10,12H,11H2,1-2H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24176
(3-N,3-N,5-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...)Show SMILES CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1 Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-15-14(12-13)17(20(24)22(5-2)6-3)19(26-15)21-18(23)16-8-7-11-25-16/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24169
(3-N,3-N-diethyl-4-methyl-2-N-(thiophene-2-)-4,5,6,...)Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-15-12(3)8-6-9-13(15)25-18(16)20-17(22)14-10-7-11-24-14/h7,10-12H,4-6,8-9H2,1-3H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24172
(N-[3-(diethylcarbamoyl)-4-methyl-4H,5H,6H-cyclopen...)Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-14-11(3)8-9-12(14)24-17(15)19-16(21)13-7-6-10-23-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319010
(4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)pyridin-...)Show InChI InChI=1S/C14H11ClN2S/c1-8-11-7-10(15)2-3-12(11)18-14(8)9-4-5-17-13(16)6-9/h2-7H,1H3,(H2,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24168
(3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-N-(thiop...)Show SMILES CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C19H25N3O2S2/c1-21(2)10-11-22(3)19(24)16-13-7-4-5-8-14(13)26-18(16)20-17(23)15-9-6-12-25-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319020
(4-(3-methyl-5-(3-(trifluoromethyl)benzyl)benzo[b]t...)Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(F)(F)F)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C21H16F3N3S/c1-12-16-11-14(9-13-3-2-4-15(10-13)21(22,23)24)5-6-18(16)28-19(12)17-7-8-26-20(25)27-17/h2-8,10-11H,9H2,1H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319017
(4-(5-(2-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)Show InChI InChI=1S/C21H19N3OS/c1-13-16-12-14(11-15-5-3-4-6-18(15)25-2)7-8-19(16)26-20(13)17-9-10-23-21(22)24-17/h3-10,12H,11H2,1-2H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24151
(N-[3-(diethylcarbamoyl)-4H,5H,6H-cyclopenta[b]thio...)Show InChI InChI=1S/C17H20N2O2S2/c1-3-19(4-2)17(21)14-11-7-5-8-12(11)23-16(14)18-15(20)13-9-6-10-22-13/h6,9-10H,3-5,7-8H2,1-2H3,(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319013
(3-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1H-pyrr...)Show InChI InChI=1S/C16H11ClN2S/c1-9-12-7-10(17)4-5-14(12)20-15(9)13-8-19-16-11(13)3-2-6-18-16/h2-8H,1H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319023
(CHEMBL1084792 | methyl 3-((2-(2-aminopyrimidin-4-y...)Show SMILES COC(=O)c1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1 Show InChI InChI=1S/C22H19N3O2S/c1-13-17-12-15(10-14-4-3-5-16(11-14)21(26)27-2)6-7-19(17)28-20(13)18-8-9-24-22(23)25-18/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24175
(3-N,3-N-diethyl-6,6-dimethyl-2-N-(thiophene-2-)-4,...)Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-9-10-20(3,4)12-15(13)26-18(16)21-17(23)14-8-7-11-25-14/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319009
(6-(5-chloro-3-methylbenzo[b]thiophen-2-yl)pyrimidi...)Show InChI InChI=1S/C13H10ClN3S/c1-7-9-4-8(14)2-3-11(9)18-13(7)10-5-12(15)17-6-16-10/h2-6H,1H3,(H2,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24154
(3-N,3-N-diethyl-2-N-(thiophene-3-)-4,5,6,7-tetrahy...)Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc.
| Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... |
Bioorg Med Chem Lett 17: 3562-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 |
More data for this Ligand-Target Pair | |