BindingDB logo
myBDB logout

PubMed code 19800787

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299378
PNG
(CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299360
PNG
(CHEMBL575741 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-4-16-14-18(13-15(16)3-1)25-20-26-19(24-17-5-7-22-8-6-17)27-21(28-20)29-11-9-23-10-12-29/h1-8,18,23H,9-14H2,(H2,22,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299366
PNG
(4-(2,3-dihydro-1H-inden-2-yloxy)-6-(piperazin-1-yl...)
Show SMILES C1C(Cc2ccccc12)Oc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N7O/c1-2-4-16-14-18(13-15(16)3-1)29-21-26-19(24-17-5-7-22-8-6-17)25-20(27-21)28-11-9-23-10-12-28/h1-8,18,23H,9-14H2,(H,22,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299374
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299372
PNG
(6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299378
PNG
(CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299379
PNG
(CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299372
PNG
(6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299364
PNG
(6-(piperazin-1-yl)-N2-(pyridin-4-yl)-N4-(1,2,3,4-t...)
Show SMILES C1CN(CCN1)c1nc(NC2CCc3ccccc3C2)nc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H26N8/c1-2-4-17-15-19(6-5-16(17)3-1)26-21-27-20(25-18-7-9-23-10-8-18)28-22(29-21)30-13-11-24-12-14-30/h1-4,7-10,19,24H,5-6,11-15H2,(H2,23,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299374
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299360
PNG
(CHEMBL575741 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-4-16-14-18(13-15(16)3-1)25-20-26-19(24-17-5-7-22-8-6-17)27-21(28-20)29-11-9-23-10-12-29/h1-8,18,23H,9-14H2,(H2,22,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299366
PNG
(4-(2,3-dihydro-1H-inden-2-yloxy)-6-(piperazin-1-yl...)
Show SMILES C1C(Cc2ccccc12)Oc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N7O/c1-2-4-16-14-18(13-15(16)3-1)29-21-26-19(24-17-5-7-22-8-6-17)25-20(27-21)28-11-9-23-10-12-28/h1-8,18,23H,9-14H2,(H,22,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299373
PNG
(CHEMBL577177 | N2-(2,3-dihydro-1H-inden-2-yl)-N4-m...)
Show SMILES CNCCN(C)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H26N8/c1-22-11-12-29(2)21-27-19(24-17-7-9-23-10-8-17)26-20(28-21)25-18-13-15-5-3-4-6-16(15)14-18/h3-10,18,22H,11-14H2,1-2H3,(H2,23,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299377
PNG
((S)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpipe...)
Show SMILES C[C@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-24-10-11-30(15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299376
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpipe...)
Show SMILES C[C@@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-24-10-11-30(15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299375
PNG
((S)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299379
PNG
(CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299365
PNG
(CHEMBL567603 | N2-(2,3-dihydro-1H-inden-1-yl)-6-(p...)
Show SMILES C1Cc2ccccc2C1Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-4-17-15(3-1)5-6-18(17)25-20-26-19(24-16-7-9-22-10-8-16)27-21(28-20)29-13-11-23-12-14-29/h1-4,7-10,18,23H,5-6,11-14H2,(H2,22,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299371
PNG
(CHEMBL573152 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(4...)
Show SMILES CN1CCN(CC1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H26N8/c1-29-10-12-30(13-11-29)22-27-20(24-18-6-8-23-9-7-18)26-21(28-22)25-19-14-16-4-2-3-5-17(16)15-19/h2-9,19H,10-15H2,1H3,(H2,23,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 305n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299362
PNG
(CHEMBL575798 | N2-phenethyl-6-(piperazin-1-yl)-N4-...)
Show SMILES C(Cc1ccccc1)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C20H24N8/c1-2-4-16(5-3-1)6-11-23-18-25-19(24-17-7-9-21-10-8-17)27-20(26-18)28-14-12-22-13-15-28/h1-5,7-10,22H,6,11-15H2,(H2,21,23,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 326n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299363
PNG
(CHEMBL575555 | N2-benzyl-6-(piperazin-1-yl)-N4-(py...)
Show SMILES C(Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22N8/c1-2-4-15(5-3-1)14-22-17-24-18(23-16-6-8-20-9-7-16)26-19(25-17)27-12-10-21-11-13-27/h1-9,21H,10-14H2,(H2,20,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299361
PNG
(CHEMBL575962 | N2-cyclopentyl-6-(piperazin-1-yl)-N...)
Show SMILES C1CCC(C1)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C17H24N8/c1-2-4-13(3-1)20-15-22-16(21-14-5-7-18-8-6-14)24-17(23-15)25-11-9-19-10-12-25/h5-8,13,19H,1-4,9-12H2,(H2,18,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299368
PNG
(CHEMBL575973 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccccn2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-6-16-14-17(13-15(16)5-1)24-19-26-20(25-18-7-3-4-8-23-18)28-21(27-19)29-11-9-22-10-12-29/h1-8,17,22H,9-14H2,(H2,23,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299380
PNG
(CHEMBL572911 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)cc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-22-27-20(25-18-5-7-23-8-6-18)15-21(28-22)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299369
PNG
(CHEMBL575974 | N2-(2,3-dihydro-1H-inden-2-yl)-N4-p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccccc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-8-18(9-3-1)24-20-26-21(28-22(27-20)29-12-10-23-11-13-29)25-19-14-16-6-4-5-7-17(16)15-19/h1-9,19,23H,10-15H2,(H2,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299370
PNG
(CHEMBL573151 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H25N7/c1-4-12-29(13-5-1)22-27-20(24-18-8-10-23-11-9-18)26-21(28-22)25-19-14-16-6-2-3-7-17(16)15-19/h2-3,6-11,19H,1,4-5,12-15H2,(H2,23,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299367
PNG
(CHEMBL575761 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2cccnc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-5-16-13-18(12-15(16)4-1)25-20-26-19(24-17-6-3-7-23-14-17)27-21(28-20)29-10-8-22-9-11-29/h1-7,14,18,22H,8-13H2,(H2,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%