Found 751 hits with Last Name = 'shiau' and Initial = 'ak' 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 |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317611
(4-(3,5-dichloropyridin-4-ylamino)-8-(3-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCN(C)C Show InChI InChI=1S/C20H21Cl2N3O4/c1-25(2)7-4-8-28-20-16(27-3)6-5-12-15(9-17(26)29-19(12)20)24-18-13(21)10-23-11-14(18)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317609
(8-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC(O)=O Show InChI InChI=1S/C23H24Cl2N2O6/c1-31-18-9-8-14-17(27-21-15(24)12-26-13-16(21)25)11-20(30)33-22(14)23(18)32-10-6-4-2-3-5-7-19(28)29/h8-9,11-13H,2-7,10H2,1H3,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317616
(4-(3,5-dichloropyridin-4-ylamino)-8-(8-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCN(C)C Show InChI InChI=1S/C25H31Cl2N3O4/c1-30(2)12-8-6-4-5-7-9-13-33-25-21(32-3)11-10-17-20(14-22(31)34-24(17)25)29-23-18(26)15-28-16-19(23)27/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317610
(9-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCC(O)=O Show InChI InChI=1S/C24H26Cl2N2O6/c1-32-19-10-9-15-18(28-22-16(25)13-27-14-17(22)26)12-21(31)34-23(15)24(19)33-11-7-5-3-2-4-6-8-20(29)30/h9-10,12-14H,2-8,11H2,1H3,(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317615
(4-(3,5-dichloropyridin-4-ylamino)-8-(7-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCN(C)C Show InChI InChI=1S/C24H29Cl2N3O4/c1-29(2)11-7-5-4-6-8-12-32-24-20(31-3)10-9-16-19(13-21(30)33-23(16)24)28-22-17(25)14-27-15-18(22)26/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317603
(8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamin...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1 Show InChI InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50363262
(CHEMBL1944717)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-10-24-6-7-25-17)11-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-10H,11H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of mouse iNOS |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363262
(CHEMBL1944717)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-10-24-6-7-25-17)11-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-10H,11H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317604
(2-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(O)=O Show InChI InChI=1S/C17H12Cl2N2O6/c1-25-12-3-2-8-11(21-15-9(18)5-20-6-10(15)19)4-14(24)27-16(8)17(12)26-7-13(22)23/h2-6H,7H2,1H3,(H,20,21)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317614
(4-(3,5-dichloropyridin-4-ylamino)-8-(6-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCN(C)C Show InChI InChI=1S/C23H27Cl2N3O4/c1-28(2)10-6-4-5-7-11-31-23-19(30-3)9-8-15-18(12-20(29)32-22(15)23)27-21-16(24)13-26-14-17(21)25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356505
(CHEMBL1911882)Show InChI InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112
BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319027
((+/-)-3-(amino(2-(2-aminopyrimidin-4-yl)-3-methylb...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363270
(CHEMBL1944884)Show SMILES Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 Show InChI InChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356504
(CHEMBL1911883)Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C20H24N6O2/c1-15-10-19(24-20(23-15)26-9-7-22-13-26)25(2)8-3-6-21-12-16-4-5-17-18(11-16)28-14-27-17/h4-5,7,9-11,13,21H,3,6,8,12,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112
BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29241
(quinolinone, 12)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363277
(CHEMBL1945066)Show SMILES Cn1ncc2c(ncnc12)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H15ClF2N6O/c1-30-21-16(9-28-30)22(27-11-26-21)31(14-4-2-3-13(23)8-14)10-12-7-18(32)29-20-15(12)5-6-17(24)19(20)25/h2-9,11H,10H2,1H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363266
(CHEMBL1944721)Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50363262
(CHEMBL1944717)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-10-24-6-7-25-17)11-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-10H,11H2,(H,26,28) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363269
(CHEMBL1944724)Show SMILES Fc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 Show InChI InChI=1S/C21H15F3N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363263
(CHEMBL1944718)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3ncccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(20-24-7-2-8-25-20)11-12-9-17(28)26-19-15(12)5-6-16(22)18(19)23/h1-10H,11H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363265
(CHEMBL1944720)Show SMILES Fc1ccc2c(CN(Cc3ccccc3)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H16F2N4O/c22-17-7-6-16-15(10-19(28)26-21(16)20(17)23)13-27(18-11-24-8-9-25-18)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363261
(CHEMBL1944716)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccncn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-6-7-24-11-25-17)10-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-9,11H,10H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363281
(CHEMBL1945068)Show SMILES [O-][n+]1cc(CN(c2cccc(Cl)c2)c2ncccn2)c2ccc(F)c(F)c2c1 Show InChI InChI=1S/C20H13ClF2N4O/c21-14-3-1-4-15(9-14)27(20-24-7-2-8-25-20)11-13-10-26(28)12-17-16(13)5-6-18(22)19(17)23/h1-10,12H,11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317608
(7-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCC(O)=O Show InChI InChI=1S/C22H22Cl2N2O6/c1-30-17-8-7-13-16(26-20-14(23)11-25-12-15(20)24)10-19(29)32-21(13)22(17)31-9-5-3-2-4-6-18(27)28/h7-8,10-12H,2-6,9H2,1H3,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50179869
(CHEMBL203682 | N-methyl-N-[4-(2,2,2-trifluoro-1-hy...)Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assa... |
Bioorg Med Chem Lett 22: 2407-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319035
((+/-)-4-(5-(1-aminobutyl)-3-methylbenzo[b]thiophen...)Show InChI InChI=1S/C17H20N4S/c1-3-4-13(18)11-5-6-15-12(9-11)10(2)16(22-15)14-7-8-20-17(19)21-14/h5-9,13H,3-4,18H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319031
((+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]t...)Show InChI InChI=1S/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319026
((+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methyl...)Show SMILES COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319025
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)Show InChI InChI=1S/C19H16N4OS/c1-11-15-10-13(22-12-3-2-4-14(24)9-12)5-6-17(15)25-18(11)16-7-8-21-19(20)23-16/h2-10,22,24H,1H3,(H2,20,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319021
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)Show InChI InChI=1S/C20H17N3OS/c1-12-16-11-14(9-13-3-2-4-15(24)10-13)5-6-18(16)25-19(12)17-7-8-22-20(21)23-17/h2-8,10-11,24H,9H2,1H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317613
(4-(3,5-dichloropyridin-4-ylamino)-8-(5-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCN(C)C Show InChI InChI=1S/C22H25Cl2N3O4/c1-27(2)9-5-4-6-10-30-22-18(29-3)8-7-14-17(11-19(28)31-21(14)22)26-20-15(23)12-25-13-16(20)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363279
(CHEMBL1944890)Show SMILES CN(C)c1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H18ClF2N5O/c1-29(2)18-10-19(27-12-26-18)30(15-5-3-4-14(23)9-15)11-13-8-20(31)28-22-16(13)6-7-17(24)21(22)25/h3-10,12H,11H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319037
((+/-)-4-(5-(1-amino-3-methylbutyl)-3-methylbenzo[b...)Show InChI InChI=1S/C18H22N4S/c1-10(2)8-14(19)12-4-5-16-13(9-12)11(3)17(23-16)15-6-7-21-18(20)22-15/h4-7,9-10,14H,8,19H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319029
((+/-)--4-(5-(amino(3-chlorophenyl)methyl)-3-methyl...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H17ClN4S/c1-11-15-10-13(18(22)12-3-2-4-14(21)9-12)5-6-17(15)26-19(11)16-7-8-24-20(23)25-16/h2-10,18H,22H2,1H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319005
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14028
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363258
(CHEMBL1944712)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H14ClF2N3O/c22-14-4-3-5-15(11-14)27(18-6-1-2-9-25-18)12-13-10-19(28)26-21-16(13)7-8-17(23)20(21)24/h1-11H,12H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363272
(CHEMBL1944886)Show SMILES Cc1nccc(n1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClF2N4O/c1-12-25-8-7-18(26-12)28(15-4-2-3-14(22)10-15)11-13-9-19(29)27-21-16(13)5-6-17(23)20(21)24/h2-10H,11H2,1H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50179869
(CHEMBL203682 | N-methyl-N-[4-(2,2,2-trifluoro-1-hy...)Show SMILES CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assa... |
Bioorg Med Chem Lett 22: 2407-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.028
BindingDB Entry DOI: 10.7270/Q2M61M77 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317607
(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCC(O)=O Show InChI InChI=1S/C21H20Cl2N2O6/c1-29-16-7-6-12-15(25-19-13(22)10-24-11-14(19)23)9-18(28)31-20(12)21(16)30-8-4-2-3-5-17(26)27/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363260
(CHEMBL1944715)Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(17-5-2-8-24-26-17)11-12-9-18(28)25-20-15(12)6-7-16(22)19(20)23/h1-10H,11H2,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327527
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317612
(4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCN(C)C Show InChI InChI=1S/C21H23Cl2N3O4/c1-26(2)8-4-5-9-29-21-17(28-3)7-6-13-16(10-18(27)30-20(13)21)25-19-14(22)11-24-12-15(19)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50363270
(CHEMBL1944884)Show SMILES Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 Show InChI InChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319030
((+/-)--4-(5-(amino(m-tolyl)methyl)-3-methylbenzo[b...)Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4S/c1-12-4-3-5-14(10-12)19(22)15-6-7-18-16(11-15)13(2)20(26-18)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50363273
(CHEMBL1944887)Show SMILES Cc1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClF2N4O/c1-12-7-18(26-11-25-12)28(15-4-2-3-14(22)9-15)10-13-8-19(29)27-21-16(13)5-6-17(23)20(21)24/h2-9,11H,10H2,1H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319022
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C21H17N3O2S/c1-12-16-11-14(9-13-3-2-4-15(10-13)20(25)26)5-6-18(16)27-19(12)17-7-8-23-21(22)24-17/h2-8,10-11H,9H2,1H3,(H,25,26)(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50363266
(CHEMBL1944721)Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Afraxis
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay |
Bioorg Med Chem Lett 22: 1237-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50319036
((+/-)-4-(5-(1-amino-2-methylpropyl)-3-methylbenzo[...)Show InChI InChI=1S/C17H20N4S/c1-9(2)15(18)11-4-5-14-12(8-11)10(3)16(22-14)13-6-7-20-17(19)21-13/h4-9,15H,18H2,1-3H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption |
Bioorg Med Chem Lett 20: 3361-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H |
More data for this
Ligand-Target Pair | |
Search and Browse
