Found 41 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 |
|---|
Renin
(Homo sapiens (Human)) | BDBM50327295
(CHEMBL1256492 | N-(2-(4'-(1-amino-3-(4-(2-(2,6-dic...)Show SMILES CC(=O)NCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H38Cl2N2O3/c1-23-18-33(36)35(34(37)19-23)42-17-16-41-30-11-8-26(9-12-30)21-29(22-38)31-13-10-28(20-24(31)2)32-7-5-4-6-27(32)14-15-39-25(3)40/h4-13,18-20,29H,14-17,21-22,38H2,1-3H3,(H,39,40) | 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 | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327290
(CHEMBL1256489 | methyl 3-(4'-(1-amino-3-(4-(2-(2,6...)Show SMILES COC(=O)CCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H37Cl2NO4/c1-23-18-32(36)35(33(37)19-23)42-17-16-41-29-12-8-25(9-13-29)21-28(22-38)30-14-10-27(20-24(30)2)31-7-5-4-6-26(31)11-15-34(39)40-3/h4-10,12-14,18-20,28H,11,15-17,21-22,38H2,1-3H3 | PDB
MMDB
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 | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50325178
((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...)Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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 | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50327286
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H39Cl2NO3/c1-24-19-33(36)35(34(37)20-24)41-18-17-40-30-13-10-26(11-14-30)22-29(23-38)31-15-12-28(21-25(31)2)32-9-5-4-7-27(32)8-6-16-39-3/h4-5,7,9-15,19-21,29H,6,8,16-18,22-23,38H2,1-3H3 | PDB
MMDB
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 | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327284
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3 | PDB
MMDB
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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327296
(CHEMBL1256493 | N-(3-(4'-(1-amino-3-(4-(2-(2,6-dic...)Show SMILES CC(=O)NCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C36H40Cl2N2O3/c1-24-19-34(37)36(35(38)20-24)43-18-17-42-31-13-10-27(11-14-31)22-30(23-39)32-15-12-29(21-25(32)2)33-9-5-4-7-28(33)8-6-16-40-26(3)41/h4-5,7,9-15,19-21,30H,6,8,16-18,22-23,39H2,1-3H3,(H,40,41) | PDB
MMDB
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 | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327292
(2-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3CCOC(N)=O)cc2)c(Cl)c1 Show InChI InChI=1S/C34H36Cl2N2O4/c1-22-17-31(35)33(32(36)18-22)41-16-15-40-28-10-7-24(8-11-28)20-27(21-37)29-12-9-26(19-23(29)2)30-6-4-3-5-25(30)13-14-42-34(38)39/h3-12,17-19,27H,13-16,20-21,37H2,1-2H3,(H2,38,39) | PDB
MMDB
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327298
(4-(4-(1-amino-3-(4-(2-(2,6-dichloro-4-methylphenox...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccnc(N)c3)cc2)c(Cl)c1 Show InChI InChI=1S/C30H31Cl2N3O2/c1-19-13-27(31)30(28(32)14-19)37-12-11-36-25-6-3-21(4-7-25)16-24(18-33)26-8-5-22(15-20(26)2)23-9-10-35-29(34)17-23/h3-10,13-15,17,24H,11-12,16,18,33H2,1-2H3,(H2,34,35) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327288
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCCOc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H39Cl2NO4/c1-24-19-32(36)35(33(37)20-24)42-18-17-40-29-12-9-26(10-13-29)22-28(23-38)30-14-11-27(21-25(30)2)31-7-4-5-8-34(31)41-16-6-15-39-3/h4-5,7-14,19-21,28H,6,15-18,22-23,38H2,1-3H3 | PDB
MMDB
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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327294
(CHEMBL1258168 | N-((4'-(1-amino-3-(4-(2-(2,6-dichl...)Show SMILES CC(=O)NCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H36Cl2N2O3/c1-22-16-32(35)34(33(36)17-22)41-15-14-40-29-11-8-25(9-12-29)19-28(20-37)30-13-10-26(18-23(30)2)31-7-5-4-6-27(31)21-38-24(3)39/h4-13,16-18,28H,14-15,19-21,37H2,1-3H3,(H,38,39) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50325178
((R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...)Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-15-14-41-28-10-5-24(6-11-28)18-25(20-37)33(39)38(27-8-9-27)21-26-19-23(4-3-13-40-2)7-12-29(26)34/h5-7,10-12,16-17,19,25,27H,3-4,8-9,13-15,18,20-21,37H2,1-2H3/t25-/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50327297
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3cnc4cnccn34)cc2)c(Cl)c1 Show InChI InChI=1S/C31H30Cl2N4O2/c1-20-13-27(32)31(28(33)14-20)39-12-11-38-25-6-3-22(4-7-25)16-24(17-34)26-8-5-23(15-21(26)2)29-18-36-30-19-35-9-10-37(29)30/h3-10,13-15,18-19,24H,11-12,16-17,34H2,1-2H3 | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327299
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3cncnc3)cc2)c(Cl)c1 Show InChI InChI=1S/C29H29Cl2N3O2/c1-19-11-27(30)29(28(31)12-19)36-10-9-35-25-6-3-21(4-7-25)14-23(15-32)26-8-5-22(13-20(26)2)24-16-33-18-34-17-24/h3-8,11-13,16-18,23H,9-10,14-15,32H2,1-2H3 | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327283
(2-(2'-chloro-3-methylbiphenyl-4-yl)-3-(4-(2-(2,6-d...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C31H30Cl3NO2/c1-20-15-29(33)31(30(34)16-20)37-14-13-36-25-10-7-22(8-11-25)18-24(19-35)26-12-9-23(17-21(26)2)27-5-3-4-6-28(27)32/h3-12,15-17,24H,13-14,18-19,35H2,1-2H3 | PDB
MMDB
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327282
(2-(2'-chloro-3-fluorobiphenyl-4-yl)-3-(4-(2-(2,6-d...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3F)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl3FNO2/c1-19-14-27(32)30(28(33)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-29(25)34)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3 | PDB
MMDB
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 |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327287
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCOc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H37Cl2NO4/c1-23-18-31(35)34(32(36)19-23)41-17-16-39-28-11-8-25(9-12-28)21-27(22-37)29-13-10-26(20-24(29)2)30-6-4-5-7-33(30)40-15-14-38-3/h4-13,18-20,27H,14-17,21-22,37H2,1-3H3 | PDB
MMDB
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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327295
(CHEMBL1256492 | N-(2-(4'-(1-amino-3-(4-(2-(2,6-dic...)Show SMILES CC(=O)NCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H38Cl2N2O3/c1-23-18-33(36)35(34(37)19-23)42-17-16-41-30-11-8-26(9-12-30)21-29(22-38)31-13-10-28(20-24(31)2)32-7-5-4-6-27(32)14-15-39-25(3)40/h4-13,18-20,29H,14-17,21-22,38H2,1-3H3,(H,39,40) | 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 | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327293
(3-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3CCC#N)cc2)c(Cl)c1 Show InChI InChI=1S/C34H34Cl2N2O2/c1-23-18-32(35)34(33(36)19-23)40-17-16-39-29-12-9-25(10-13-29)21-28(22-38)30-14-11-27(20-24(30)2)31-8-4-3-6-26(31)7-5-15-37/h3-4,6,8-14,18-20,28H,5,7,16-17,21-22,38H2,1-2H3 | PDB
MMDB
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327289
(CHEMBL1257940 | methyl 2-(4'-(1-amino-3-(4-(2-(2,6...)Show SMILES COC(=O)Cc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H35Cl2NO4/c1-22-16-31(35)34(32(36)17-22)41-15-14-40-28-11-8-24(9-12-28)19-27(21-37)29-13-10-26(18-23(29)2)30-7-5-4-6-25(30)20-33(38)39-3/h4-13,16-18,27H,14-15,19-21,37H2,1-3H3 | PDB
MMDB
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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327285
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H37Cl2NO3/c1-23-18-32(35)34(33(36)19-23)40-17-16-39-29-11-8-25(9-12-29)21-28(22-37)30-13-10-27(20-24(30)2)31-7-5-4-6-26(31)14-15-38-3/h4-13,18-20,28H,14-17,21-22,37H2,1-3H3 | PDB
MMDB
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327291
(3-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES CN(C)C(=O)CCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C36H40Cl2N2O3/c1-24-19-33(37)36(34(38)20-24)43-18-17-42-30-13-9-26(10-14-30)22-29(23-39)31-15-11-28(21-25(31)2)32-8-6-5-7-27(32)12-16-35(41)40(3)4/h5-11,13-15,19-21,29H,12,16-18,22-23,39H2,1-4H3 | PDB
MMDB
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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327280
(2-(2'-chlorobiphenyl-4-yl)-3-(4-(2-(2,6-dichloro-4...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H28Cl3NO2/c1-20-16-28(32)30(29(33)17-20)36-15-14-35-25-12-6-21(7-13-25)18-24(19-34)22-8-10-23(11-9-22)26-4-2-3-5-27(26)31/h2-13,16-17,24H,14-15,18-19,34H2,1H3 | PDB
MMDB
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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327281
(2-(2'-chloro-3-methoxybiphenyl-4-yl)-3-(4-(2-(2,6-...)Show SMILES COc1cc(ccc1C(CN)Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C31H30Cl3NO3/c1-20-15-28(33)31(29(34)16-20)38-14-13-37-24-10-7-21(8-11-24)17-23(19-35)26-12-9-22(18-30(26)36-2)25-5-3-4-6-27(25)32/h3-12,15-16,18,23H,13-14,17,19,35H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in phosphate buffer |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327292
(2-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3CCOC(N)=O)cc2)c(Cl)c1 Show InChI InChI=1S/C34H36Cl2N2O4/c1-22-17-31(35)33(32(36)18-22)41-16-15-40-28-10-7-24(8-11-28)20-27(21-37)29-12-9-26(19-23(29)2)30-6-4-3-5-25(30)13-14-42-34(38)39/h3-12,17-19,27H,13-16,20-21,37H2,1-2H3,(H2,38,39) | PDB
MMDB
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 | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327286
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H39Cl2NO3/c1-24-19-33(36)35(34(37)20-24)41-18-17-40-30-13-10-26(11-14-30)22-29(23-38)31-15-12-28(21-25(31)2)32-9-5-4-7-27(32)8-6-16-39-3/h4-5,7,9-15,19-21,29H,6,8,16-18,22-23,38H2,1-3H3 | PDB
MMDB
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 | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327296
(CHEMBL1256493 | N-(3-(4'-(1-amino-3-(4-(2-(2,6-dic...)Show SMILES CC(=O)NCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C36H40Cl2N2O3/c1-24-19-34(37)36(35(38)20-24)43-18-17-42-31-13-10-27(11-14-31)22-30(23-39)32-15-12-29(21-25(32)2)33-9-5-4-7-28(33)8-6-16-40-26(3)41/h4-5,7,9-15,19-21,30H,6,8,16-18,22-23,39H2,1-3H3,(H,40,41) | PDB
MMDB
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 | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327294
(CHEMBL1258168 | N-((4'-(1-amino-3-(4-(2-(2,6-dichl...)Show SMILES CC(=O)NCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H36Cl2N2O3/c1-22-16-32(35)34(33(36)17-22)41-15-14-40-29-11-8-25(9-12-29)19-28(20-37)30-13-10-26(18-23(30)2)31-7-5-4-6-27(31)21-38-24(3)39/h4-13,16-18,28H,14-15,19-21,37H2,1-3H3,(H,38,39) | 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 | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327290
(CHEMBL1256489 | methyl 3-(4'-(1-amino-3-(4-(2-(2,6...)Show SMILES COC(=O)CCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H37Cl2NO4/c1-23-18-32(36)35(33(37)19-23)42-17-16-41-29-12-8-25(9-13-29)21-28(22-38)30-14-10-27(20-24(30)2)31-7-5-4-6-26(31)11-15-34(39)40-3/h4-10,12-14,18-20,28H,11,15-17,21-22,38H2,1-3H3 | PDB
MMDB
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 | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327298
(4-(4-(1-amino-3-(4-(2-(2,6-dichloro-4-methylphenox...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccnc(N)c3)cc2)c(Cl)c1 Show InChI InChI=1S/C30H31Cl2N3O2/c1-19-13-27(31)30(28(32)14-19)37-12-11-36-25-6-3-21(4-7-25)16-24(18-33)26-8-5-22(15-20(26)2)23-9-10-35-29(34)17-23/h3-10,13-15,17,24H,11-12,16,18,33H2,1-2H3,(H2,34,35) | 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 | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327297
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3cnc4cnccn34)cc2)c(Cl)c1 Show InChI InChI=1S/C31H30Cl2N4O2/c1-20-13-27(32)31(28(33)14-20)39-12-11-38-25-6-3-22(4-7-25)16-24(17-34)26-8-5-23(15-21(26)2)29-18-36-30-19-35-9-10-37(29)30/h3-10,13-15,18-19,24H,11-12,16-17,34H2,1-2H3 | 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 | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327289
(CHEMBL1257940 | methyl 2-(4'-(1-amino-3-(4-(2-(2,6...)Show SMILES COC(=O)Cc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H35Cl2NO4/c1-22-16-31(35)34(32(36)17-22)41-15-14-40-28-11-8-24(9-12-28)19-27(21-37)29-13-10-26(18-23(29)2)30-7-5-4-6-25(30)20-33(38)39-3/h4-13,16-18,27H,14-15,19-21,37H2,1-3H3 | PDB
MMDB
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 | 534 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327293
(3-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3CCC#N)cc2)c(Cl)c1 Show InChI InChI=1S/C34H34Cl2N2O2/c1-23-18-32(35)34(33(36)19-23)40-17-16-39-29-12-9-25(10-13-29)21-28(22-38)30-14-11-27(20-24(30)2)31-8-4-3-6-26(31)7-5-15-37/h3-4,6,8-14,18-20,28H,5,7,16-17,21-22,38H2,1-2H3 | PDB
MMDB
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 | 544 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327299
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3cncnc3)cc2)c(Cl)c1 Show InChI InChI=1S/C29H29Cl2N3O2/c1-19-11-27(30)29(28(31)12-19)36-10-9-35-25-6-3-21(4-7-25)14-23(15-32)26-8-5-22(13-20(26)2)24-16-33-18-34-17-24/h3-8,11-13,16-18,23H,9-10,14-15,32H2,1-2H3 | 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 | 614 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327284
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3 | PDB
MMDB
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 | 764 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327283
(2-(2'-chloro-3-methylbiphenyl-4-yl)-3-(4-(2-(2,6-d...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3C)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C31H30Cl3NO2/c1-20-15-29(33)31(30(34)16-20)37-14-13-36-25-10-7-22(8-11-25)18-24(19-35)26-12-9-23(17-21(26)2)27-5-3-4-6-28(27)32/h3-12,15-17,24H,13-14,18-19,35H2,1-2H3 | PDB
MMDB
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 | 796 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327291
(3-(4'-(1-amino-3-(4-(2-(2,6-dichloro-4-methylpheno...)Show SMILES CN(C)C(=O)CCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C36H40Cl2N2O3/c1-24-19-33(37)36(34(38)20-24)43-18-17-42-30-13-9-26(10-14-30)22-29(23-39)31-15-11-28(21-25(31)2)32-8-6-5-7-27(32)12-16-35(41)40(3)4/h5-11,13-15,19-21,29H,12,16-18,22-23,39H2,1-4H3 | PDB
MMDB
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 | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327282
(2-(2'-chloro-3-fluorobiphenyl-4-yl)-3-(4-(2-(2,6-d...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3F)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl3FNO2/c1-19-14-27(32)30(28(33)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-29(25)34)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3 | PDB
MMDB
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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327288
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCCOc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C35H39Cl2NO4/c1-24-19-32(36)35(33(37)20-24)42-18-17-40-29-12-9-26(10-13-29)22-28(23-38)30-14-11-27(21-25(30)2)31-7-4-5-8-34(31)41-16-6-15-39-3/h4-5,7-14,19-21,28H,6,15-18,22-23,38H2,1-3H3 | PDB
MMDB
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 | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327287
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCOc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H37Cl2NO4/c1-23-18-31(35)34(32(36)19-23)41-17-16-39-28-11-8-25(9-12-28)21-27(22-37)29-13-10-26(20-24(29)2)30-6-4-5-7-33(30)40-15-14-38-3/h4-13,18-20,27H,14-17,21-22,37H2,1-3H3 | PDB
MMDB
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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327285
(3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...)Show SMILES COCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Show InChI InChI=1S/C34H37Cl2NO3/c1-23-18-32(35)34(33(36)19-23)40-17-16-39-29-11-8-25(9-12-29)21-28(22-37)30-13-10-27(20-24(30)2)31-7-5-4-6-26(31)14-15-38-3/h4-13,18-20,28H,14-17,21-22,37H2,1-3H3 | PDB
MMDB
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 | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50327281
(2-(2'-chloro-3-methoxybiphenyl-4-yl)-3-(4-(2-(2,6-...)Show SMILES COc1cc(ccc1C(CN)Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C31H30Cl3NO3/c1-20-15-28(33)31(29(34)16-20)38-14-13-37-24-10-7-21(8-11-24)17-23(19-35)26-12-9-22(18-30(26)36-2)25-5-3-4-6-27(25)32/h3-12,15-16,18,23H,13-14,17,19,35H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in plasma |
Bioorg Med Chem Lett 20: 5822-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.127
BindingDB Entry DOI: 10.7270/Q2ZP46BP |
More data for this
Ligand-Target Pair | |
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