Found 23 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)) | BDBM50325446
(CHEMBL1222573 | cis-3-amino-N-(7-chloro-1-oxo-1,2-...)Show SMILES N[C@H]1CC[C@H](C1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C15H16ClN3O2/c16-12-7-11-8(3-4-18-15(11)21)6-13(12)19-14(20)9-1-2-10(17)5-9/h3-4,6-7,9-10H,1-2,5,17H2,(H,18,21)(H,19,20)/t9-,10+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325431
((S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C14H16ClN3O2/c1-7(2)12(16)14(20)18-11-5-8-3-4-17-13(19)9(8)6-10(11)15/h3-7,12H,16H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325444
(CHEMBL1222571 | cis-4-amino-N-(7-chloro-1-oxo-1,2-...)Show SMILES N[C@H]1CC[C@H](CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r,wU:4.7,1.0,(1.58,6.82,;.25,6.05,;.24,4.51,;-1.08,3.74,;-2.42,4.51,;-2.43,6.05,;-1.09,6.82,;-3.75,3.74,;-5.08,4.5,;-3.74,2.2,;-5.07,1.42,;-6.4,2.18,;-7.73,1.42,;-9.05,2.19,;-10.38,1.42,;-10.38,-.12,;-9.05,-.89,;-9.05,-2.43,;-7.73,-.12,;-6.4,-.89,;-5.07,-.12,;-3.74,-.89,)| Show InChI InChI=1S/C16H18ClN3O2/c17-13-8-12-10(5-6-19-16(12)22)7-14(13)20-15(21)9-1-3-11(18)4-2-9/h5-9,11H,1-4,18H2,(H,19,22)(H,20,21)/t9-,11+ | PDB
MMDB
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325434
((R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)C[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C15H18ClN3O2/c1-8(2)5-12(17)15(21)19-13-6-9-3-4-18-14(20)10(9)7-11(13)16/h3-4,6-8,12H,5,17H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1 | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319636
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25) | PDB
MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325437
((S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES N[C@@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C17H20ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h6-10,15H,1-5,19H2,(H,20,22)(H,21,23)/t15-/m0/s1 | PDB
MMDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325439
((S)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)...)Show SMILES CC(C)N[C@@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C20H26ClN3O2/c1-12(2)23-18(13-6-4-3-5-7-13)20(26)24-17-10-14-8-9-22-19(25)15(14)11-16(17)21/h8-13,18,23H,3-7H2,1-2H3,(H,22,25)(H,24,26)/t18-/m0/s1 | PDB
MMDB
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GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319633
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319721
(CHEMBL1085082 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)Show InChI InChI=1S/C15H16ClN3O2/c16-12-8-11-10(3-6-18-15(11)21)7-13(12)19-14(20)9-1-4-17-5-2-9/h3,6-9,17H,1-2,4-5H2,(H,18,21)(H,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319720
(CHEMBL1083113 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)Show InChI InChI=1S/C16H18ClN3O2/c1-20-6-3-10(4-7-20)15(21)19-14-8-11-2-5-18-16(22)12(11)9-13(14)17/h2,5,8-10H,3-4,6-7H2,1H3,(H,18,22)(H,19,21) | PDB
MMDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325441
((S)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)...)Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C14H14ClN3O2/c15-10-7-9-8(3-5-17-13(9)19)6-12(10)18-14(20)11-2-1-4-16-11/h3,5-7,11,16H,1-2,4H2,(H,17,19)(H,18,20)/t11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319722
((R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)...)Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@@H]1CCNC1 |r| Show InChI InChI=1S/C14H14ClN3O2/c15-11-6-10-8(2-4-17-14(10)20)5-12(11)18-13(19)9-1-3-16-7-9/h2,4-6,9,16H,1,3,7H2,(H,17,20)(H,18,19)/t9-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325436
((R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)(C)C[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C16H20ClN3O2/c1-16(2,3)8-12(18)15(22)20-13-6-9-4-5-19-14(21)10(9)7-11(13)17/h4-7,12H,8,18H2,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50319718
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)Show InChI InChI=1S/C11H10ClN3O2/c12-8-4-7-6(1-2-14-11(7)17)3-9(8)15-10(16)5-13/h1-4H,5,13H2,(H,14,17)(H,15,16) | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325440
((R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)...)Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@H]1CCCN1 |r| Show InChI InChI=1S/C14H14ClN3O2/c15-10-7-9-8(3-5-17-13(9)19)6-12(10)18-14(20)11-2-1-4-16-11/h3,5-7,11,16H,1-2,4H2,(H,17,19)(H,18,20)/t11-/m1/s1 | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325442
((S)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)...)Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@H]1CCNC1 |r| Show InChI InChI=1S/C14H14ClN3O2/c15-11-6-10-8(2-4-17-14(10)20)5-12(11)18-13(19)9-1-3-16-7-9/h2,4-6,9,16H,1,3,7H2,(H,17,20)(H,18,19)/t9-/m0/s1 | PDB
MMDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325432
((R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C14H16ClN3O2/c1-7(2)12(16)14(20)18-11-5-8-3-4-17-13(19)9(8)6-10(11)15/h3-7,12H,16H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325445
(CHEMBL1222572 | cis-3-amino-N-(7-chloro-1-oxo-1,2-...)Show SMILES N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C15H16ClN3O2/c16-12-7-11-8(3-4-18-15(11)21)6-13(12)19-14(20)9-1-2-10(17)5-9/h3-4,6-7,9-10H,1-2,5,17H2,(H,18,21)(H,19,20)/t9-,10+/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325443
(CHEMBL1222570 | trans-4-amino-N-(7-chloro-1-oxo-1,...)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r,wU:1.0,wD:4.7,(37.41,-43.32,;36.08,-44.09,;36.08,-45.63,;34.75,-46.4,;33.42,-45.63,;33.4,-44.09,;34.74,-43.32,;32.08,-46.4,;30.75,-45.63,;32.09,-47.94,;30.76,-48.71,;29.43,-47.95,;28.11,-48.72,;26.78,-47.94,;25.45,-48.72,;25.45,-50.26,;26.78,-51.02,;26.78,-52.56,;28.1,-50.26,;29.43,-51.02,;30.76,-50.26,;32.1,-51.03,)| Show InChI InChI=1S/C16H18ClN3O2/c17-13-8-12-10(5-6-19-16(12)22)7-14(13)20-15(21)9-1-3-11(18)4-2-9/h5-9,11H,1-4,18H2,(H,19,22)(H,20,21)/t9-,11- | PDB
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325433
((S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)C[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C15H18ClN3O2/c1-8(2)5-12(17)15(21)19-13-6-9-3-4-18-14(20)10(9)7-11(13)16/h3-4,6-8,12H,5,17H2,1-2H3,(H,18,20)(H,19,21)/t12-/m0/s1 | PDB
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PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325438
((R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES N[C@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C17H20ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h6-10,15H,1-5,19H2,(H,20,22)(H,21,23)/t15-/m1/s1 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325435
((S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)Show SMILES CC(C)(C)C[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r| Show InChI InChI=1S/C16H20ClN3O2/c1-16(2,3)8-12(18)15(22)20-13-6-9-4-5-19-14(21)10(9)7-11(13)17/h4-7,12H,8,18H2,1-3H3,(H,19,21)(H,20,22)/t12-/m0/s1 | PDB
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| n/a | n/a | 845 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50325447
(CHEMBL1222574 | cis-N-(7-chloro-1-oxo-1,2-dihydroi...)Show SMILES CN(C)[C@H]1CC[C@H](CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r,wU:6.9,3.2,(2.51,-7.55,;1.18,-6.78,;1.18,-5.24,;-.16,-7.55,;-.16,-9.09,;-1.49,-9.86,;-2.82,-9.09,;-2.83,-7.55,;-1.49,-6.78,;-4.15,-9.86,;-5.49,-9.09,;-4.15,-11.4,;-5.48,-12.17,;-6.81,-11.41,;-8.13,-12.18,;-9.46,-11.4,;-10.79,-12.18,;-10.79,-13.72,;-9.46,-14.48,;-9.46,-16.02,;-8.13,-13.72,;-6.81,-14.48,;-5.47,-13.72,;-4.14,-14.49,)| Show InChI InChI=1S/C18H22ClN3O2/c1-22(2)13-5-3-11(4-6-13)17(23)21-16-9-12-7-8-20-18(24)14(12)10-15(16)19/h7-11,13H,3-6H2,1-2H3,(H,20,24)(H,21,23)/t11-,13+ | PDB
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PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 5153-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.014
BindingDB Entry DOI: 10.7270/Q2RR1ZDC |
More data for this
Ligand-Target Pair | |
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