BindingDB logo
myBDB logout

13 similar compounds to monomer 100338

Compile data set for download or QSAR
Wt: 448.5
BDBM100314
Wt: 420.4
BDBM100320
Wt: 434.4
BDBM100324
Wt: 420.4
BDBM100325
Wt: 420.4
BDBM100326
Wt: 420.4
BDBM100327
Wt: 420.4
BDBM100330
Wt: 420.4
BDBM100333
Wt: 446.4
BDBM100335
Wt: 434.4
BDBM100336
Wt: 448.5
BDBM100339
Wt: 462.5
BDBM100340
Wt: 434.4
BDBM100341

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 100314,100320,100324,100325,100326,100327,100330,100333,100335,100336,100339,100340,100341   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM100314
PNG
(US8501749, 14)
Show SMILES CCCCC(Cn1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O)C(O)=O
Show InChI InChI=1S/C25H28N4O4/c1-4-5-8-17(24(31)32)14-29-23(30)19-12-26-11-10-20(19)28(25(29)33)15-18-13-27(3)21-9-6-7-16(2)22(18)21/h6-7,9-13,17H,4-5,8,14-15H2,1-3H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100320
PNG
(US8501749, 20)
Show SMILES CCC[C@@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-6-19(22(29)30)27-21(28)16-11-24-10-9-17(16)26(23(27)31)13-15-12-25(3)18-8-5-7-14(2)20(15)18/h5,7-12,19H,4,6,13H2,1-3H3,(H,29,30)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100324
PNG
(US8501749, 24)
Show SMILES CCCC[C@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-5-8-20(23(30)31)28-22(29)17-12-25-11-10-18(17)27(24(28)32)14-16-13-26(3)19-9-6-7-15(2)21(16)19/h6-7,9-13,20H,4-5,8,14H2,1-3H3,(H,30,31)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100325
PNG
(US8501749, 25)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-11-24-9-8-18(17)26(23(27)31)13-15-12-25(3)19-7-5-6-14(2)21(15)19/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100326
PNG
(US8501749, 26)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-8-9-24-11-19(17)26(23(27)31)13-15-12-25(3)18-7-5-6-14(2)21(15)18/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100327
PNG
(US8501749, 27)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(11-19(28)29)27-22(30)21-18(9-6-10-24-21)26(23(27)31)13-15-12-25(3)17-8-5-7-14(2)20(15)17/h5-10,12,16H,4,11,13H2,1-3H3,(H,28,29)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100341
PNG
(US8501749, 41)
Show SMILES CCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-7-17(12-20(29)30)28-23(31)22-19(10-6-11-25-22)27(24(28)32)14-16-13-26(3)18-9-5-8-15(2)21(16)18/h5-6,8-11,13,17H,4,7,12,14H2,1-3H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100333
PNG
(US8501749, 33)
Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cnccc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-8-9-24-11-19(17)26(23(27)31)13-15-12-25(3)18-7-5-6-14(2)21(15)18/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100335
PNG
(US8501749, 35)
Show SMILES Cc1cc(C)c2c(Cn3c4cccnc4c(=O)n(C(CC(O)=O)C4CC4)c3=O)cn(C)c2c1
Show InChI InChI=1S/C25H26N4O4/c1-14-9-15(2)22-17(12-27(3)20(22)10-14)13-28-18-5-4-8-26-23(18)24(32)29(25(28)33)19(11-21(30)31)16-6-7-16/h4-5,8-10,12,16,19H,6-7,11,13H2,1-3H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100336
PNG
(US8501749, 36)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(11-20(29)30)28-23(31)22-18(7-6-8-25-22)27(24(28)32)13-16-12-26(4)19-10-14(2)9-15(3)21(16)19/h6-10,12,17H,5,11,13H2,1-4H3,(H,29,30)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100339
PNG
(US8501749, 39)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C25H28N4O4/c1-4-5-9-18(13-21(30)31)29-24(32)23-20(11-7-12-26-23)28(25(29)33)15-17-14-27(3)19-10-6-8-16(2)22(17)19/h6-8,10-12,14,18H,4-5,9,13,15H2,1-3H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100340
PNG
(US8501749, 40)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C26H30N4O4/c1-5-6-8-19(13-22(31)32)30-25(33)24-20(9-7-10-27-24)29(26(30)34)15-18-14-28(4)21-12-16(2)11-17(3)23(18)21/h7,9-12,14,19H,5-6,8,13,15H2,1-4H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100330
PNG
(US8501749, 30)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(11-19(28)29)27-22(30)21-18(9-6-10-24-21)26(23(27)31)13-15-12-25(3)17-8-5-7-14(2)20(15)17/h5-10,12,16H,4,11,13H2,1-3H3,(H,28,29)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair