BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 553 hits with Last Name = 'rapundalo' and Initial = 'st'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072740
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N7O4S/c27-26(28)30-12-4-7-19(23(36)25-29-13-14-38-25)31-24(37)20-10-9-18-15-32(16-22(35)33(18)20)21(34)11-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-20H,4,7-12,15-16H2,(H,31,37)(H4,27,28,30)/t18-,19-,20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards Thrombin


J Med Chem 43: 361-8 (2000)


Article DOI: 10.1021/jm990216f
BindingDB Entry DOI: 10.7270/Q2P26XCW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080924
PNG
(CHEMBL83260 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3Cl)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H40ClN7O4S/c35-26-13-5-4-12-25(26)19-28-33(46)40(15-6-10-23-8-2-1-3-9-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-14-17-47-32)18-24-11-7-16-41(20-24)34(36)37/h1-5,8-9,12-14,17,24,27-28H,6-7,10-11,15-16,18-22H2,(H3,36,37)(H,39,43)/t24?,27-,28+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072736
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nccs2)C1
Show InChI InChI=1S/C29H37N7O4S/c30-29(31)34-13-4-7-20(16-34)15-22(26(39)28-32-12-14-41-28)33-27(40)23-10-9-21-17-35(18-25(38)36(21)23)24(37)11-8-19-5-2-1-3-6-19/h1-3,5-6,12,14,20-23H,4,7-11,13,15-18H2,(H3,30,31)(H,33,40)/t20?,21-,22-,23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards Thrombin


J Med Chem 43: 361-8 (2000)


Article DOI: 10.1021/jm990216f
BindingDB Entry DOI: 10.7270/Q2P26XCW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080911
PNG
(2-((S)-4-Benzyl-2-naphthalen-2-ylmethyl-3,6-dioxo-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C36H39N7O4S/c37-36(38)41-15-6-9-26(21-41)18-29(33(46)34-39-14-16-48-34)40-31(44)22-43-30(19-25-12-13-27-10-4-5-11-28(27)17-25)35(47)42(23-32(43)45)20-24-7-2-1-3-8-24/h1-5,7-8,10-14,16-17,26,29-30H,6,9,15,18-23H2,(H3,37,38)(H,40,44)/t26?,29-,30-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against thrombin was determined


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080920
PNG
(CHEMBL313769 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H39Cl2N7O4S/c35-25-11-10-23(16-26(25)36)18-28-33(47)41(13-4-8-22-6-2-1-3-7-22)21-30(45)43(28)20-29(44)40-27(31(46)32-39-12-15-48-32)17-24-9-5-14-42(19-24)34(37)38/h1-3,6-7,10-12,15-16,24,27-28H,4-5,8-9,13-14,17-21H2,(H3,37,38)(H,40,44)/t24?,27-,28+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50080895
PNG
(CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080916
PNG
(CHEMBL84084 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3cccc(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H40ClN7O4S/c35-26-12-4-9-24(17-26)19-28-33(46)40(14-5-10-23-7-2-1-3-8-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-13-16-47-32)18-25-11-6-15-41(20-25)34(36)37/h1-4,7-9,12-13,16-17,25,27-28H,5-6,10-11,14-15,18-22H2,(H3,36,37)(H,39,43)/t25?,27-,28+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080908
PNG
(2-[(S)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...)
Show SMILES NC(=N)N1CCC[C@@H](C[C@H](NC(=O)CN2[C@@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H41N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1-6,9-12,15,18,26-28H,7-8,13-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080895
PNG
(CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080915
PNG
(2-((R)-2-Benzyl-4-butyl-3,6-dioxo-piperazin-1-yl)-...)
Show SMILES CCCCN1CC(=O)N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C29H39N7O4S/c1-2-3-12-34-19-25(38)36(23(28(34)40)16-20-8-5-4-6-9-20)18-24(37)33-22(26(39)27-32-11-14-41-27)15-21-10-7-13-35(17-21)29(30)31/h4-6,8-9,11,14,21-23H,2-3,7,10,12-13,15-19H2,1H3,(H3,30,31)(H,33,37)/t21?,22-,23+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM2510
PNG
((+/-)-3-[ 1-(Cyclopentylthio)-3-methylbutyl]-4-hyd...)
Show SMILES CC(C)CC(SC1CCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C21H26O3S/c1-14(2)12-19(25-16-10-6-7-11-16)20-17(22)13-18(24-21(20)23)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,19,22H,6-7,10-12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
33 -44.4 58n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080903
PNG
(CHEMBL83549 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc(Cl)cc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H40ClN7O4S/c35-26-12-10-24(11-13-26)19-28-33(46)40(15-4-8-23-6-2-1-3-7-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-14-17-47-32)18-25-9-5-16-41(20-25)34(36)37/h1-3,6-7,10-14,17,25,27-28H,4-5,8-9,15-16,18-22H2,(H3,36,37)(H,39,43)/t25?,27-,28-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080905
PNG
(CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES COc1ccc(C[C@@H]2N(CC(=O)N[C@@H](CC3CCCN(C3)C(N)=N)C(=O)c3nccs3)C(=O)CN(CCCc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C35H43N7O5S/c1-47-27-13-11-25(12-14-27)20-29-34(46)40(16-5-9-24-7-3-2-4-8-24)23-31(44)42(29)22-30(43)39-28(32(45)33-38-15-18-48-33)19-26-10-6-17-41(21-26)35(36)37/h2-4,7-8,11-15,18,26,28-29H,5-6,9-10,16-17,19-23H2,1H3,(H3,36,37)(H,39,43)/t26?,28-,29-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080913
PNG
((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...)
Show SMILES CNC(=O)[C@H](CC1CCCN(C1)C(N)=N)NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O
Show InChI InChI=1S/C32H43N7O4/c1-35-30(42)26(18-25-15-9-17-38(20-25)32(33)34)36-28(40)21-39-27(19-24-12-6-3-7-13-24)31(43)37(22-29(39)41)16-8-14-23-10-4-2-5-11-23/h2-7,10-13,25-27H,8-9,14-22H2,1H3,(H3,33,34)(H,35,42)(H,36,40)/t25?,26-,27+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080918
PNG
(CHEMBL408553 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080930
PNG
(2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...)
Show SMILES NC(=N)N1CCC[C@@H](C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H41N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1-6,9-12,15,18,26-28H,7-8,13-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080896
PNG
(CHEMBL402843 | CHEMBL419488 | N-[(S)-1-(1-Carbamim...)
Show SMILES C[C@@H]1N(CC(=O)N[C@@H](C[C@@H]2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C28H37N7O4S/c1-19-27(39)33(12-5-9-20-7-3-2-4-8-20)18-24(37)35(19)17-23(36)32-22(25(38)26-31-11-14-40-26)15-21-10-6-13-34(16-21)28(29)30/h2-4,7-8,11,14,19,21-22H,5-6,9-10,12-13,15-18H2,1H3,(H3,29,30)(H,32,36)/t19-,21?,22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080907
PNG
(CHEMBL311947 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](CC3CCCCC3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H47N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1,3-4,9-10,15,18,25-28H,2,5-8,11-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080917
PNG
(CHEMBL83001 | N-[(S)-2-Benzothiazol-2-yl-1-(1-carb...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nc3ccccc3s2)C1
Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-20-10-16-28(23-44)21-30(35(48)36-42-29-17-7-8-18-32(29)50-36)41-33(46)24-45-31(22-27-13-5-2-6-14-27)37(49)43(25-34(45)47)19-9-15-26-11-3-1-4-12-26/h1-8,11-14,17-18,28,30-31H,9-10,15-16,19-25H2,(H3,39,40)(H,41,46)/t28?,30-,31+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080904
PNG
(2-[(S)-2-Butyl-3,6-dioxo-4-(3-phenyl-propyl)-piper...)
Show SMILES CCCC[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C31H43N7O4S/c1-2-3-13-25-30(42)36(15-7-11-22-9-5-4-6-10-22)21-27(40)38(25)20-26(39)35-24(28(41)29-34-14-17-43-29)18-23-12-8-16-37(19-23)31(32)33/h4-6,9-10,14,17,23-25H,2-3,7-8,11-13,15-16,18-21H2,1H3,(H3,32,33)(H,35,39)/t23?,24-,25-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
98n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080900
PNG
(CHEMBL84461 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](CCc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C35H43N7O4S/c36-35(37)41-19-8-14-27(22-41)21-28(32(45)33-38-17-20-47-33)39-30(43)23-42-29(16-15-26-11-5-2-6-12-26)34(46)40(24-31(42)44)18-7-13-25-9-3-1-4-10-25/h1-6,9-12,17,20,27-29H,7-8,13-16,18-19,21-24H2,(H3,36,37)(H,39,43)/t27?,28-,29-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
105n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080914
PNG
(2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1
Show InChI InChI=1S/C35H47N7O4/c36-35(37)41-20-10-16-28(23-41)21-29(33(45)39-17-7-8-18-39)38-31(43)24-42-30(22-27-13-5-2-6-14-27)34(46)40(25-32(42)44)19-9-15-26-11-3-1-4-12-26/h1-6,11-14,28-30H,7-10,15-25H2,(H3,36,37)(H,38,43)/t28?,29-,30+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080901
PNG
(CHEMBL84127 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)
Show SMILES CN1CC(=O)N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)[C@@H](Cc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C30H35N7O4S/c1-35-18-26(39)37(24(29(35)41)15-19-8-9-21-6-2-3-7-22(21)13-19)17-25(38)34-23(27(40)28-33-10-12-42-28)14-20-5-4-11-36(16-20)30(31)32/h2-3,6-10,12-13,20,23-24H,4-5,11,14-18H2,1H3,(H3,31,32)(H,34,38)/t20?,23-,24-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080906
PNG
(CHEMBL316383 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES CC(C)C[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C31H43N7O4S/c1-21(2)16-25-30(42)36(13-6-10-22-8-4-3-5-9-22)20-27(40)38(25)19-26(39)35-24(28(41)29-34-12-15-43-29)17-23-11-7-14-37(18-23)31(32)33/h3-5,8-9,12,15,21,23-25H,6-7,10-11,13-14,16-20H2,1-2H3,(H3,32,33)(H,35,39)/t23?,24-,25-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080898
PNG
(2-[(S)-2-sec-Butyl-3,6-dioxo-4-(3-phenyl-propyl)-p...)
Show SMILES CCC(C)[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C31H43N7O4S/c1-3-21(2)27-30(42)36(14-7-11-22-9-5-4-6-10-22)20-26(40)38(27)19-25(39)35-24(28(41)29-34-13-16-43-29)17-23-12-8-15-37(18-23)31(32)33/h4-6,9-10,13,16,21,23-24,27H,3,7-8,11-12,14-15,17-20H2,1-2H3,(H3,32,33)(H,35,39)/t21?,23?,24-,27-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080899
PNG
(CHEMBL309931 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C27H35N7O4S/c28-27(29)33-12-5-9-20(15-33)14-21(25(38)26-30-10-13-39-26)31-22(35)16-34-18-23(36)32(17-24(34)37)11-4-8-19-6-2-1-3-7-19/h1-3,6-7,10,13,20-21H,4-5,8-9,11-12,14-18H2,(H3,28,29)(H,31,35)/t20?,21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
495n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2497-502 (1999)


Article DOI: 10.1016/s0960-894x(99)00418-7
BindingDB Entry DOI: 10.7270/Q23T9GDD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50080912
PNG
(2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C36H49N7O4/c37-36(38)42-21-11-17-29(24-42)22-30(34(46)40-18-8-3-9-19-40)39-32(44)25-43-31(23-28-14-6-2-7-15-28)35(47)41(26-33(43)45)20-10-16-27-12-4-1-5-13-27/h1-2,4-7,12-15,29-31H,3,8-11,16-26H2,(H3,37,38)(H,39,44)/t29?,30-,31+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
825n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 9: 2503-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00419-9
BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072736
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nccs2)C1
Show InChI InChI=1S/C29H37N7O4S/c30-29(31)34-13-4-7-20(16-34)15-22(26(39)28-32-12-14-41-28)33-27(40)23-10-9-21-17-35(18-25(38)36(21)23)24(37)11-8-19-5-2-1-3-6-19/h1-3,5-6,12,14,20-23H,4,7-11,13,15-18H2,(H3,30,31)(H,33,40)/t20?,21-,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards Trypsin


J Med Chem 43: 361-8 (2000)


Article DOI: 10.1021/jm990216f
BindingDB Entry DOI: 10.7270/Q2P26XCW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005417
PNG
(CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045292
PNG
((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monkey plasma renin


Bioorg Med Chem Lett 4: 2029-2034 (1994)


Article DOI: 10.1016/S0960-894X(01)80557-6
BindingDB Entry DOI: 10.7270/Q2RB74JC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005437
PNG
(CHEMBL8477 | N-[Allylsulfanyl-(1-cyclohexylmethyl-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C32H52N4O7S2/c1-4-19-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-17-43-18-16-36/h4,6,9-10,13-14,23-24,26-29,32,35,37-38H,1,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005443
PNG
(CHEMBL441325 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC(F)(F)F
Show InChI InChI=1S/C31H49F3N4O8S/c1-21(2)17-26(39)27(40)24(18-22-9-5-3-6-10-22)35-29(42)30(46-20-31(32,33)34)36-28(41)25(19-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,24-27,30,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,42)(H,36,41)/t24-,25-,26-,27+,30?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000558
PNG
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045292
PNG
((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibitory activity against monkey plasma renin.


Bioorg Med Chem Lett 3: 2119-2124 (1993)


Article DOI: 10.1016/S0960-894X(01)81029-5
BindingDB Entry DOI: 10.7270/Q25B02DT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005431
PNG
(CHEMBL8665 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H54N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h6,9-10,13-14,23-24,26-29,32,35,37-38H,4-5,7-8,11-12,15-22H2,1-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005442
PNG
(CHEMBL262712 | N-[Allyloxy-(1-cyclohexylmethyl-2,3...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC=C
Show InChI InChI=1S/C32H52N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h4,6,9-10,13-14,23-24,26-29,32,35,37-38H,1,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005445
PNG
(CHEMBL267277 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S/c1-23(2)17-30(40)31(41)27(18-24-9-5-3-6-10-24)36-32(42)28(20-26-21-34-22-35-26)37-33(43)29(19-25-11-7-4-8-12-25)38-47(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-24,27-31,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,34,35)(H,36,42)(H,37,43)/t27-,28?,29-,30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005428
PNG
(CHEMBL8836 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O8S/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monkey plasma renin


Bioorg Med Chem Lett 4: 2029-2034 (1994)


Article DOI: 10.1016/S0960-894X(01)80557-6
BindingDB Entry DOI: 10.7270/Q2RB74JC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50283014
PNG
(CHEMBL291139 | {(S)-1-[(S)-1-((1S,2R,3S)-1-Cyclohe...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H53N3O6/c1-7-14-25(30(39)35-26(20-23-15-10-8-11-16-23)29(38)28(37)19-22(2)3)34-31(40)27(21-24-17-12-9-13-18-24)36-32(41)42-33(4,5)6/h7,9,12-13,17-18,22-23,25-29,37-38H,1,8,10-11,14-16,19-21H2,2-6H3,(H,34,40)(H,35,39)(H,36,41)/t25-,26-,27-,28-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monkey plasma renin


Bioorg Med Chem Lett 4: 2029-2034 (1994)


Article DOI: 10.1016/S0960-894X(01)80557-6
BindingDB Entry DOI: 10.7270/Q2RB74JC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005422
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H56F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-30,33,41,44H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30+,33?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.440n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005423
PNG
(CHEMBL266139 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC#C
Show InChI InChI=1S/C32H50N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h1,6,9-10,13-14,23-24,26-29,32,35,37-38H,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072740
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N7O4S/c27-26(28)30-12-4-7-19(23(36)25-29-13-14-38-25)31-24(37)20-10-9-18-15-32(16-22(35)33(18)20)21(34)11-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-20H,4,7-12,15-16H2,(H,31,37)(H4,27,28,30)/t18-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards Trypsin


J Med Chem 43: 361-8 (2000)


Article DOI: 10.1021/jm990216f
BindingDB Entry DOI: 10.7270/Q2P26XCW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50076017
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nc3ccccc3s2)C1
Show InChI InChI=1S/C33H39N7O4S/c34-33(35)38-16-6-9-22(18-38)17-25(30(43)32-37-24-10-4-5-11-27(24)45-32)36-31(44)26-14-13-23-19-39(20-29(42)40(23)26)28(41)15-12-21-7-2-1-3-8-21/h1-5,7-8,10-11,22-23,25-26H,6,9,12-20H2,(H3,34,35)(H,36,44)/t22?,23-,25-,26-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin


Bioorg Med Chem Lett 9: 835-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00096-7
BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50217503
PNG
(CHEMBL352928)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H35N7O4S/c31-30(32)33-16-6-10-22(27(40)29-35-21-9-4-5-11-24(21)42-29)34-28(41)23-14-13-20-17-36(18-26(39)37(20)23)25(38)15-12-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18H2,(H,34,41)(H4,31,32,33)/t20-,22-,23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin


Bioorg Med Chem Lett 9: 835-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00096-7
BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072740
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N7O4S/c27-26(28)30-12-4-7-19(23(36)25-29-13-14-38-25)31-24(37)20-10-9-18-15-32(16-22(35)33(18)20)21(34)11-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-20H,4,7-12,15-16H2,(H,31,37)(H4,27,28,30)/t18-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 9: 835-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00096-7
BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50217503
PNG
(CHEMBL352928)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H35N7O4S/c31-30(32)33-16-6-10-22(27(40)29-35-21-9-4-5-11-24(21)42-29)34-28(41)23-14-13-20-17-36(18-26(39)37(20)23)25(38)15-12-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18H2,(H,34,41)(H4,31,32,33)/t20-,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 9: 835-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00096-7
BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072740
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N7O4S/c27-26(28)30-12-4-7-19(23(36)25-29-13-14-38-25)31-24(37)20-10-9-18-15-32(16-22(35)33(18)20)21(34)11-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-20H,4,7-12,15-16H2,(H,31,37)(H4,27,28,30)/t18-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin(FIIa)


Bioorg Med Chem Lett 8: 3409-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00613-1
BindingDB Entry DOI: 10.7270/Q27943VV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072741
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCC(CC1)[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C28H35N7O4S/c29-28(30)33-13-10-19(11-14-33)24(25(38)27-31-12-15-40-27)32-26(39)21-8-7-20-16-34(17-23(37)35(20)21)22(36)9-6-18-4-2-1-3-5-18/h1-5,12,15,19-21,24H,6-11,13-14,16-17H2,(H3,29,30)(H,32,39)/t20-,21-,24-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin(FIIa)


Bioorg Med Chem Lett 8: 3409-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00613-1
BindingDB Entry DOI: 10.7270/Q27943VV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005439
PNG
((1-{[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6S/c1-7-42-30(29(39)33-24(19-22-14-10-8-11-15-22)27(37)26(36)18-21(2)3)35-28(38)25(20-23-16-12-9-13-17-23)34-31(40)41-32(4,5)6/h9,12-13,16-17,21-22,24-27,30,36-37H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-,27+,30?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 553 total )  |  Next  |  Last  >>
Jump to: