Found 46 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 |
|---|
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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
AffyNet
| 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 | |
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 | |
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 | |
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)) | 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 | |
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 | |
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 | |
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)) | 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 | |
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 | |
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)) | 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 | |
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 | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208333
((S)-(4-(1H-indazol-5-yl)piperazin-1-yl)(1,2,3,4-te...)Show SMILES O=C([C@@H]1Cc2ccccc2CN1)N1CCN(CC1)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H23N5O/c27-21(20-12-15-3-1-2-4-16(15)13-22-20)26-9-7-25(8-10-26)18-5-6-19-17(11-18)14-23-24-19/h1-6,11,14,20,22H,7-10,12-13H2,(H,23,24)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+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 | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50208324
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show InChI InChI=1S/C15H21N5O/c1-10(16)15(21)20-6-4-12(5-7-20)18-13-2-3-14-11(8-13)9-17-19-14/h2-3,8-10,12,18H,4-7,16H2,1H3,(H,17,19)/t10-/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 | 6.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+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)) | 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
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+4 | 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)) | BDBM50208324
((S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-a...)Show InChI InChI=1S/C15H21N5O/c1-10(16)15(21)20-6-4-12(5-7-20)18-13-2-3-14-11(8-13)9-17-19-14/h2-3,8-10,12,18H,4-7,16H2,1H3,(H,17,19)/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+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
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)) | BDBM50208333
((S)-(4-(1H-indazol-5-yl)piperazin-1-yl)(1,2,3,4-te...)Show SMILES O=C([C@@H]1Cc2ccccc2CN1)N1CCN(CC1)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H23N5O/c27-21(20-12-15-3-1-2-4-16(15)13-22-20)26-9-7-25(8-10-26)18-5-6-19-17(11-18)14-23-24-19/h1-6,11,14,20,22H,7-10,12-13H2,(H,23,24)/t20-/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+4 | 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)) | 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
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 |
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)) | BDBM50208327
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-aminop...)Show InChI InChI=1S/C14H19N5O/c1-10(15)14(20)19-6-4-18(5-7-19)12-2-3-13-11(8-12)9-16-17-13/h2-3,8-10H,4-7,15H2,1H3,(H,16,17)/t10-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50208327
((R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-aminop...)Show InChI InChI=1S/C14H19N5O/c1-10(15)14(20)19-6-4-18(5-7-19)12-2-3-13-11(8-12)9-16-17-13/h2-3,8-10H,4-7,15H2,1H3,(H,16,17)/t10-/m1/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+4 | 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 | |
Search and Browse
