new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'willoughby' and Initial = 'ca'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203211
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116264
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116262
PNG
((2S,5S)-5-[(S)-2-(2-Benzo[b]thiophen-3-yl-acetylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1csc2ccccc12)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cn[nH]c1
Show InChI InChI=1S/C33H36N6O4S/c1-3-19(2)29(38-28(40)14-23-18-44-27-10-5-4-9-24(23)27)32(42)37-25-12-11-21-7-6-8-22-13-26(39(30(21)22)33(25)43)31(41)34-15-20-16-35-36-17-20/h4-10,16-19,25-26,29H,3,11-15H2,1-2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,40)/t19-,25-,26-,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116260
PNG
((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@H](C=O)C(O)=O
Show InChI InChI=1S/C25H32N4O7/c1-5-13(2)20(28(4)14(3)31)23(33)26-17-10-9-15-7-6-8-16-11-19(29(21(15)16)24(17)34)22(32)27-18(12-30)25(35)36/h6-8,12-13,17-20H,5,9-11H2,1-4H3,(H,26,33)(H,27,32)(H,35,36)/t13-,17-,18+,19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116255
PNG
((2S,5S)-5-((S)-3-(S)-Methyl-2-phenylacetylamino-pe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cn[nH]c1
Show InChI InChI=1S/C31H36N6O4/c1-3-19(2)27(36-26(38)14-20-8-5-4-6-9-20)30(40)35-24-13-12-22-10-7-11-23-15-25(37(28(22)23)31(24)41)29(39)32-16-21-17-33-34-18-21/h4-11,17-19,24-25,27H,3,12-16H2,1-2H3,(H,32,39)(H,33,34)(H,35,40)(H,36,38)/t19-,24-,25-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116256
PNG
((S)-3-({1-[(S)-2-((3S,4S)-2-Acetylamino-3-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H30N4O7/c1-4-13(2)21(25-14(3)29)23(34)24-11-19(30)27-17-8-6-5-7-15(17)9-18(27)22(33)26-16(12-28)10-20(31)32/h5-8,12-13,16,18,21H,4,9-11H2,1-3H3,(H,24,34)(H,25,29)(H,26,33)(H,31,32)/t13-,16-,18-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116267
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)C(=O)OC
Show InChI InChI=1S/C28H36N4O9/c1-6-14(2)22(31(4)15(3)33)26(38)29-18-11-10-16-8-7-9-17-12-20(32(23(16)17)27(18)39)25(37)30-19(13-21(34)35)24(36)28(40)41-5/h7-9,14,18-20,22H,6,10-13H2,1-5H3,(H,29,38)(H,30,37)(H,34,35)/t14-,18-,19-,20-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203206
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C33H37N3O3S/c1-25(27-16-14-26(15-17-27)24-36-20-8-3-9-21-36)34-33(37)23-32(29-11-4-2-5-12-29)35-40(38,39)31-19-18-28-10-6-7-13-30(28)22-31/h2,4-7,10-19,22,25,32,35H,3,8-9,20-21,23-24H2,1H3,(H,34,37)/t25-,32-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50116264
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against Caspase-3


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203208
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
31n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116268
PNG
((2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(S)-methy...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cnn[nH]1
Show InChI InChI=1S/C25H33N7O4/c1-5-14(2)21(31(4)15(3)33)24(35)28-19-10-9-16-7-6-8-17-11-20(32(22(16)17)25(19)36)23(34)26-12-18-13-27-30-29-18/h6-8,13-14,19-21H,5,9-12H2,1-4H3,(H,26,34)(H,28,35)(H,27,29,30)/t14-,19-,20-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50116260
PNG
((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@H](C=O)C(O)=O
Show InChI InChI=1S/C25H32N4O7/c1-5-13(2)20(28(4)14(3)31)23(33)26-17-10-9-15-7-6-8-16-11-19(29(21(15)16)24(17)34)22(32)27-18(12-30)25(35)36/h6-8,12-13,17-20H,5,9-11H2,1-4H3,(H,26,33)(H,27,32)(H,35,36)/t13-,17-,18+,19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
71n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against Caspase-3


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116269
PNG
((2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(S)-methy...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1nnn[nH]1
Show InChI InChI=1S/C24H32N8O4/c1-5-13(2)20(31(4)14(3)33)23(35)26-17-10-9-15-7-6-8-16-11-18(32(21(15)16)24(17)36)22(34)25-12-19-27-29-30-28-19/h6-8,13,17-18,20H,5,9-12H2,1-4H3,(H,25,34)(H,26,35)(H,27,28,29,30)/t13-,17-,18-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
74n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116261
PNG
((2S,5S)-5-((R)-3-Methyl-2-pyridin-2-yl-butyrylamin...)
Show SMILES CC(C)[C@@H](C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cnn[nH]1)c1ccccn1
Show InChI InChI=1S/C26H29N7O3/c1-15(2)22(19-8-3-4-11-27-19)25(35)30-20-10-9-16-6-5-7-17-12-21(33(23(16)17)26(20)36)24(34)28-13-18-14-29-32-31-18/h3-8,11,14-15,20-22H,9-10,12-13H2,1-2H3,(H,28,34)(H,30,35)(H,29,31,32)/t20-,21-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
75n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116259
PNG
((S)-4-((3S,4S)-2-Acetylamino-3-methyl-pentanoylami...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H34N4O9/c1-4-12(2)19(23-13(3)28)21(34)25-15(7-8-17(29)30)22(35)26-9-5-6-16(26)20(33)24-14(11-27)10-18(31)32/h11-12,14-16,19H,4-10H2,1-3H3,(H,23,28)(H,24,33)(H,25,34)(H,29,30)(H,31,32)/t12-,14-,15-,16-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116265
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H37N5O7S/c1-5-17(2)27(37(4)18(3)39)31(44)34-22-14-13-19-9-8-10-20-15-24(38(28(19)20)33(22)45)30(43)35-23(16-26(40)41)29(42)32-36-21-11-6-7-12-25(21)46-32/h6-12,17,22-24,27H,5,13-16H2,1-4H3,(H,34,44)(H,35,43)(H,40,41)/t17-,22-,23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
85n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116263
PNG
((S)-3-{[(S)-(5S,7S)-6-((3S,4S)-2-Acetylamino-3-met...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C21H32N4O7/c1-4-11(2)18(22-12(3)27)20(31)24-15-7-5-14-6-8-16(25(14)21(15)32)19(30)23-13(10-26)9-17(28)29/h10-11,13-16,18H,4-9H2,1-3H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)/t11-,13-,14-,15-,16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
122n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203202
PNG
((R)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(naphthal...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)/t31-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
132n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116258
PNG
((S)-3-{2-[3-((2S,3S)-2-Acetylamino-3-methyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccn(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O
Show InChI InChI=1S/C19H26N4O7/c1-4-11(2)17(20-12(3)25)18(29)22-14-6-5-7-23(19(14)30)9-15(26)21-13(10-24)8-16(27)28/h5-7,10-11,13,17H,4,8-9H2,1-3H3,(H,20,25)(H,21,26)(H,22,29)(H,27,28)/t11-,13-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
133n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50116265
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H37N5O7S/c1-5-17(2)27(37(4)18(3)39)31(44)34-22-14-13-19-9-8-10-20-15-24(38(28(19)20)33(22)45)30(43)35-23(16-26(40)41)29(42)32-36-21-11-6-7-12-25(21)46-32/h6-12,17,22-24,27H,5,13-16H2,1-4H3,(H,34,44)(H,35,43)(H,40,41)/t17-,22-,23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
143n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against Caspase-3


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203203
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
143n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50116267
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)C(=O)OC
Show InChI InChI=1S/C28H36N4O9/c1-6-14(2)22(31(4)15(3)33)26(38)29-18-11-10-16-8-7-9-17-12-20(32(23(16)17)27(18)39)25(37)30-19(13-21(34)35)24(36)28(40)41-5/h7-9,14,18-20,22H,6,10-13H2,1-5H3,(H,29,38)(H,30,37)(H,34,35)/t14-,18-,19-,20-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
202n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against Caspase-3


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116257
PNG
(3-[((S)-{1-[(S)-2-((3S,4S)-2-Acetylamino-3-methyl-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C19H30N4O7/c1-4-11(2)17(21-12(3)25)19(30)20-9-15(26)23-7-5-6-14(23)18(29)22-13(10-24)8-16(27)28/h10-11,13-14,17H,4-9H2,1-3H3,(H,20,30)(H,21,25)(H,22,29)(H,27,28)/t11-,13-,14-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (Human))
BDBM50116260
PNG
((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@H](C=O)C(O)=O
Show InChI InChI=1S/C25H32N4O7/c1-5-13(2)20(28(4)14(3)31)23(33)26-17-10-9-15-7-6-8-16-11-19(29(21(15)16)24(17)34)22(32)27-18(12-30)25(35)36/h6-8,12-13,17-20H,5,9-11H2,1-4H3,(H,26,33)(H,27,32)(H,35,36)/t13-,17-,18+,19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against Caspase-8


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116270
PNG
((2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(S)-methy...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C26H33N5O6/c1-5-14(2)22(30(4)15(3)32)25(35)28-19-10-9-16-7-6-8-17-11-20(31(23(16)17)26(19)36)24(34)27-13-18-12-21(33)29-37-18/h6-8,12,14,19-20,22H,5,9-11,13H2,1-4H3,(H,27,34)(H,28,35)(H,29,33)/t14-,19-,20-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
382n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116254
PNG
(3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)-3-m...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H34N4O6/c1-5-14(2)21(28(4)15(3)30)24(34)27-18-10-9-16-7-6-8-17-13-19(29(22(16)17)25(18)35)23(33)26-12-11-20(31)32/h6-8,14,18-19,21H,5,9-13H2,1-4H3,(H,26,33)(H,27,34)(H,31,32)/t14-,18-,19-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
580n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203204
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Granzyme B


(Homo sapiens (Human))
BDBM50116266
PNG
((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Show SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1
Show InChI InChI=1S/C34H41FN4O7S/c1-5-19(2)30(38(4)20(3)40)33(45)36-25-14-11-22-7-6-8-23-15-27(39(31(22)23)34(25)46)32(44)37-26(16-29(42)43)28(41)18-47-17-21-9-12-24(35)13-10-21/h6-10,12-13,19,25-27,30H,5,11,14-18H2,1-4H3,(H,36,45)(H,37,44)(H,42,43)/t19-,25-,26-,27-,30-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)


BindingDB Entry DOI: 10.7270/Q2WH2P9X
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203198
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203208
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203211
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.92E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.70E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203198
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.41E+5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121838
PNG
((R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C31H38F4N2O2/c32-26-8-6-25(7-9-26)31(34,35)13-10-21-11-14-36(15-12-21)18-24-19-37(29(30(38)39)16-22-4-5-22)20-28(24)23-2-1-3-27(33)17-23/h1-3,6-9,17,21-22,24,28-29H,4-5,10-16,18-20H2,(H,38,39)/t24-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119338
PNG
((R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-pheny...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C32H44N2O2/c35-32(36)31(21-27-13-8-14-27)34-23-29(30(24-34)28-15-5-2-6-16-28)22-33-19-17-26(18-20-33)12-7-11-25-9-3-1-4-10-25/h1-6,9-10,15-16,26-27,29-31H,7-8,11-14,17-24H2,(H,35,36)/t29-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121836
PNG
((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C31H40F2N2O2S/c32-26-7-9-28(10-8-26)38-16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121828
PNG
((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121833
PNG
((R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C32H41F3N2O2/c33-28-11-9-27(10-12-28)32(34,35)16-13-23-14-17-36(18-15-23)20-26-21-37(22-29(26)25-7-2-1-3-8-25)30(31(38)39)19-24-5-4-6-24/h1-3,7-12,23-24,26,29-30H,4-6,13-22H2,(H,38,39)/t26-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121819
PNG
((R)-2-[(S)-3-{4-[3-(4-Cyano-phenyl)-propyl]-piperi...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C#N)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C33H42FN3O2/c34-30-9-3-8-28(19-30)31-23-37(32(33(38)39)18-26-6-2-7-26)22-29(31)21-36-16-14-25(15-17-36)5-1-4-24-10-12-27(20-35)13-11-24/h3,8-13,19,25-26,29,31-32H,1-2,4-7,14-18,21-23H2,(H,38,39)/t29-,31+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 324 total )  |  Next  |  Last  >>
Jump to: