Found 72 hits with Last Name = 'frackowiak' and Initial = 'b' 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 |
|---|
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92524
(Aminopyrazole inhibitor, 3576)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC Show InChI InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208318
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino...)Show SMILES NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C20H22BrN5O/c21-15-3-1-13(2-4-15)19(22)20(27)26-9-7-16(8-10-26)24-17-5-6-18-14(11-17)12-23-25-18/h1-6,11-12,16,19,24H,7-10,22H2,(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92523
(Aminopyrazole inhibitor, 3528)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H24ClN5O5/c1-35-22-12-17(13-23(36-2)24(22)37-3)29-25(33)16-7-6-8-19(11-16)32-15-18(14-28-32)30-26(34)31-21-10-5-4-9-20(21)27/h4-15H,1-3H3,(H,29,33)(H2,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92522
(Aminopyrazole inhibitor, 3451)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H25N5O5/c1-34-22-13-19(14-23(35-2)24(22)36-3)28-25(32)17-8-7-11-21(12-17)31-16-20(15-27-31)30-26(33)29-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,32)(H2,29,30,33) | PDB
MMDB
NCI pathway
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 | 25 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92526
(Aminopyrazole inhibitor, 4326)Show SMILES Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-9-17(12-25-11-15)27-22(31)16-5-4-6-19(10-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208323
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(4-br...)Show SMILES OC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C20H21BrN4O2/c21-15-3-1-13(2-4-15)19(26)20(27)25-9-7-16(8-10-25)23-17-5-6-18-14(11-17)12-22-24-18/h1-6,11-12,16,19,23,26H,7-10H2,(H,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208321
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C19H20BrN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208322
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(4-bromoph...)Show SMILES OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C19H19BrN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208325
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino...)Show SMILES NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0| Show InChI InChI=1S/C20H22ClN5O/c21-15-3-1-2-13(10-15)19(22)20(27)26-8-6-16(7-9-26)24-17-4-5-18-14(11-17)12-23-25-18/h1-5,10-12,16,19,24H,6-9,22H2,(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208325
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino...)Show SMILES NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0| Show InChI InChI=1S/C20H22ClN5O/c21-15-3-1-2-13(10-15)19(22)20(27)26-8-6-16(7-9-26)24-17-4-5-18-14(11-17)12-23-25-18/h1-5,10-12,16,19,24H,6-9,22H2,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM92524
(Aminopyrazole inhibitor, 3576)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC Show InChI InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208329
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(4-chlorop...)Show SMILES OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0| Show InChI InChI=1S/C19H19ClN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208338
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0| Show InChI InChI=1S/C19H20ClN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208320
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(3...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0| Show InChI InChI=1S/C19H20ClN5O/c20-15-3-1-2-13(10-15)18(21)19(26)25-8-6-24(7-9-25)16-4-5-17-14(11-16)12-22-23-17/h1-5,10-12,18H,6-9,21H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92530
(Aminopyrazole inhibitor, 4276)Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C24H27ClN6O3/c25-21-7-1-2-8-22(21)29-24(33)28-19-16-27-31(17-19)20-6-3-5-18(15-20)23(32)26-9-4-10-30-11-13-34-14-12-30/h1-3,5-8,15-17H,4,9-14H2,(H,26,32)(H2,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208334
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(...)Show SMILES O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN4O2/c21-15-3-1-2-13(10-15)19(26)20(27)25-8-6-16(7-9-25)23-17-4-5-18-14(11-17)12-22-24-18/h1-5,10-12,16,19,23,26H,6-9H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208339
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H23N5O/c21-18(12-15-4-2-1-3-5-15)20(26)25-10-8-24(9-11-25)17-6-7-19-16(13-17)14-22-23-19/h1-7,13-14,18H,8-12,21H2,(H,22,23)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM92522
(Aminopyrazole inhibitor, 3451)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H25N5O5/c1-34-22-13-19(14-23(35-2)24(22)36-3)28-25(32)17-8-7-11-21(12-17)31-16-20(15-27-31)30-26(33)29-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,32)(H2,29,30,33) | PDB
MMDB
NCI pathway
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 | 400 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208321
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C19H20BrN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208326
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show SMILES N[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N5O/c21-19(14-4-2-1-3-5-14)20(26)25-10-8-16(9-11-25)23-17-6-7-18-15(12-17)13-22-24-18/h1-7,12-13,16,19,23H,8-11,21H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208328
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-...)Show SMILES N[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N5O/c20-18(14-4-2-1-3-5-14)19(25)24-10-8-23(9-11-24)16-6-7-17-15(12-16)13-21-22-17/h1-7,12-13,18H,8-11,20H2,(H,21,22)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208330
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H25N5O/c22-19(12-15-4-2-1-3-5-15)21(27)26-10-8-17(9-11-26)24-18-6-7-20-16(13-18)14-23-25-20/h1-7,13-14,17,19,24H,8-12,22H2,(H,23,25)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92525
(Aminopyrazole inhibitor, 3583)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(Cl)cc3)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H24ClN5O5/c1-35-22-12-19(13-23(36-2)24(22)37-3)29-25(33)16-5-4-6-21(11-16)32-15-20(14-28-32)31-26(34)30-18-9-7-17(27)8-10-18/h4-15H,1-3H3,(H,29,33)(H2,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208318
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino...)Show SMILES NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C20H22BrN5O/c21-15-3-1-13(2-4-15)19(22)20(27)26-9-7-16(8-10-26)24-17-5-6-18-14(11-17)12-23-25-18/h1-6,11-12,16,19,24H,7-10,22H2,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208338
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0| Show InChI InChI=1S/C19H20ClN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM92523
(Aminopyrazole inhibitor, 3528)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H24ClN5O5/c1-35-22-12-17(13-23(36-2)24(22)37-3)29-25(33)16-7-6-8-19(11-16)32-15-18(14-28-32)30-26(34)31-21-10-5-4-9-20(21)27/h4-15H,1-3H3,(H,29,33)(H2,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208320
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(3...)Show SMILES NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0| Show InChI InChI=1S/C19H20ClN5O/c20-15-3-1-2-13(10-15)18(21)19(26)25-8-6-24(7-9-25)16-4-5-17-14(11-16)12-22-23-17/h1-5,10-12,18H,6-9,21H2,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208337
((R)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-h...)Show SMILES O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208331
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-hydrox...)Show SMILES O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H20N4O2/c24-18(14-4-2-1-3-5-14)19(25)23-10-8-22(9-11-23)16-6-7-17-15(12-16)13-20-21-17/h1-7,12-13,18,24H,8-11H2,(H,20,21)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208326
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show SMILES N[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N5O/c21-19(14-4-2-1-3-5-14)20(26)25-10-8-16(9-11-25)23-17-6-7-18-15(12-17)13-22-24-18/h1-7,12-13,16,19,23H,8-11,21H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208330
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H25N5O/c22-19(12-15-4-2-1-3-5-15)21(27)26-10-8-17(9-11-26)24-18-6-7-20-16(13-18)14-23-25-20/h1-7,13-14,17,19,24H,8-12,22H2,(H,23,25)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208336
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(3-chl...)Show SMILES O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN4O2/c20-15-3-1-2-13(10-15)18(25)19(26)24-8-6-23(7-9-24)16-4-5-17-14(11-16)12-21-22-17/h1-5,10-12,18,25H,6-9H2,(H,21,22)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208317
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-h...)Show InChI InChI=1S/C15H20N4O2/c1-10(20)15(21)19-6-4-12(5-7-19)17-13-2-3-14-11(8-13)9-16-18-14/h2-3,8-10,12,17,20H,4-7H2,1H3,(H,16,18)/t10-/m0/s1 | PDB
MMDB
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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208337
((R)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-h...)Show SMILES O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1 | PDB
MMDB
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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208335
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(2-chl...)Show SMILES O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1Cl Show InChI InChI=1S/C19H19ClN4O2/c20-16-4-2-1-3-15(16)18(25)19(26)24-9-7-23(8-10-24)14-5-6-17-13(11-14)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208328
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-...)Show SMILES N[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N5O/c20-18(14-4-2-1-3-5-14)19(25)24-10-8-23(9-11-24)16-6-7-17-15(12-16)13-21-22-17/h1-7,12-13,18H,8-11,20H2,(H,21,22)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM92526
(Aminopyrazole inhibitor, 4326)Show SMILES Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-9-17(12-25-11-15)27-22(31)16-5-4-6-19(10-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92528
(Aminopyrazole inhibitor, 4643)Show SMILES Cc1cncc(NC(=O)c2cc(cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)N2CCOCC2)c1 Show InChI InChI=1S/C27H26ClN7O3/c1-18-10-20(15-29-14-18)31-26(36)19-11-22(34-6-8-38-9-7-34)13-23(12-19)35-17-21(16-30-35)32-27(37)33-25-5-3-2-4-24(25)28/h2-5,10-17H,6-9H2,1H3,(H,31,36)(H2,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208319
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(...)Show SMILES O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1Cl Show InChI InChI=1S/C20H21ClN4O2/c21-17-4-2-1-3-16(17)19(26)20(27)25-9-7-14(8-10-25)23-15-5-6-18-13(11-15)12-22-24-18/h1-6,11-12,14,19,23,26H,7-10H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208334
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(...)Show SMILES O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN4O2/c21-15-3-1-2-13(10-15)19(26)20(27)25-8-6-16(7-9-25)23-17-4-5-18-14(11-17)12-22-24-18/h1-5,10-12,16,19,23,26H,6-9H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92529
(Aminopyrazole inhibitor, 4018)Show SMILES Cc1cccc(NC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCCN2CCOCC2)c1 Show InChI InChI=1S/C24H28N6O3/c1-18-4-2-6-20(14-18)27-24(32)28-21-16-26-30(17-21)22-7-3-5-19(15-22)23(31)25-8-9-29-10-12-33-13-11-29/h2-7,14-17H,8-13H2,1H3,(H,25,31)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM92527
(Aminopyrazole inhibitor, 4642)Show SMILES CN(C)c1cc(cc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1)C(=O)Nc1cncc(C)c1 Show InChI InChI=1S/C25H24ClN7O2/c1-16-8-18(13-27-12-16)29-24(34)17-9-20(32(2)3)11-21(10-17)33-15-19(14-28-33)30-25(35)31-23-7-5-4-6-22(23)26/h4-15H,1-3H3,(H,29,34)(H2,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208329
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(4-chlorop...)Show SMILES OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0| Show InChI InChI=1S/C19H19ClN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208336
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(3-chl...)Show SMILES O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN4O2/c20-15-3-1-2-13(10-15)18(25)19(26)24-8-6-23(7-9-24)16-4-5-17-14(11-16)12-21-22-17/h1-5,10-12,18,25H,6-9H2,(H,21,22)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208323
(1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(4-br...)Show SMILES OC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C20H21BrN4O2/c21-15-3-1-13(2-4-15)19(26)20(27)25-9-7-16(8-10-25)23-17-5-6-18-14(11-17)12-22-24-18/h1-6,11-12,16,19,23,26H,7-10H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM92522
(Aminopyrazole inhibitor, 3451)Show SMILES COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC Show InChI InChI=1S/C26H25N5O5/c1-34-22-13-19(14-23(35-2)24(22)36-3)28-25(32)17-8-7-11-21(12-17)31-16-20(15-27-31)30-26(33)29-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,32)(H2,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fl... |
J Biol Chem 284: 12853-61 (2009)
Article DOI: 10.1074/jbc.M809430200
BindingDB Entry DOI: 10.7270/Q2NZ867T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208332
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-hydrox...)Show SMILES CC(C)[C@@H](O)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H22N4O2/c1-11(2)15(21)16(22)20-7-5-19(6-8-20)13-3-4-14-12(9-13)10-17-18-14/h3-4,9-11,15,21H,5-8H2,1-2H3,(H,17,18)/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208322
(1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-(4-bromoph...)Show SMILES OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0| Show InChI InChI=1S/C19H19BrN4O2/c20-15-3-1-13(2-4-15)18(25)19(26)24-9-7-23(8-10-24)16-5-6-17-14(11-16)12-21-22-17/h1-6,11-12,18,25H,7-10H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50208319
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(...)Show SMILES O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1Cl Show InChI InChI=1S/C20H21ClN4O2/c21-17-4-2-1-3-16(17)19(26)20(27)25-9-7-14(8-10-25)23-15-5-6-18-13(11-15)12-22-24-18/h1-6,11-12,14,19,23,26H,7-10H2,(H,22,24)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 2355-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Rattus norvegicus) | BDBM50433094
(CHEMBL2376915)Show SMILES Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C26H26ClN5O2/c27-23-6-1-2-7-24(23)30-21-8-9-25-20(16-21)18-29-32(25)22-5-3-4-19(17-22)26(33)28-10-11-31-12-14-34-15-13-31/h1-9,16-18,30H,10-15H2,(H,28,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3-mediated c-Jun phosphorylation in rat INS-1 cells after 3 hrs by ELISA |
Bioorg Med Chem Lett 23: 2683-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.082
BindingDB Entry DOI: 10.7270/Q21837WC |
More data for this
Ligand-Target Pair | |
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