Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50047929 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197528
(CHEMBL3917216)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197541
(CHEMBL3949673)Show SMILES NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O |r,TLB:20:21:25.24:27| Show InChI InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197542
(CHEMBL3967145)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C25H46N6O5S/c1-24(2)17-11-12-25(24,3)20(15-17)29-21(32)19(14-16-8-5-4-6-9-16)31-37(35,36)30-18(22(33)34)10-7-13-28-23(26)27/h16-20,30-31H,4-15H2,1-3H3,(H,29,32)(H,33,34)(H4,26,27,28)/t17-,18+,19+,20+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197543
(CHEMBL3955010)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197536
(CHEMBL3982584)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C26H48N4O5S/c1-25(2)19-14-15-26(25,3)22(17-19)28-23(31)20(13-12-18-9-5-4-6-10-18)29-36(34,35)30-21(24(32)33)11-7-8-16-27/h18-22,29-30H,4-17,27H2,1-3H3,(H,28,31)(H,32,33)/t19-,20+,21+,22+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197533
(CHEMBL3977342)Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O |r| Show InChI InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197540
(CHEMBL3926028)Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23| Show InChI InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197531
(CHEMBL3949183)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:7:4.3.2,THB:12:9:7:4.3.2,10:3:7:9.11.8,6:5:2:9.11.10,8:9:7.5.4:2,8:5:2:9.11.10| Show InChI InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197544
(CHEMBL3975632)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197539
(CHEMBL3906963)Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23| Show InChI InChI=1S/C25H38N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h1-3,6-7,18-22,28-29H,4-5,8-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197534
(CHEMBL3905126)Show SMILES CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C24H46N4O5S/c1-17-13-19(16-24(2,3)15-17)26-22(29)21(14-18-9-5-4-6-10-18)28-34(32,33)27-20(23(30)31)11-7-8-12-25/h17-21,27-28H,4-16,25H2,1-3H3,(H,26,29)(H,30,31)/t17?,19?,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197545
(CHEMBL3945036)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C28H44N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h9-12,18,20,22-24,31-32H,4-8,13-17,29H2,1-3H3,(H,30,33)(H,34,35)/t20-,22+,23+,24+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197527
(CHEMBL3977994)Show InChI InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197538
(CHEMBL3915923)Show SMILES CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:20:21:24:28.27.26,THB:22:21:24.23.28:26,22:23:26:30.21.29,29:21:24:28.27.26,29:27:24:30.21.22| Show InChI InChI=1S/C21H38N4O5S/c1-13(2)18(25-31(29,30)24-17(20(27)28)5-3-4-6-22)19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-18,24-25H,3-12,22H2,1-2H3,(H,23,26)(H,27,28)/t14?,15?,16?,17-,18-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197547
(CHEMBL3901369)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197535
(CHEMBL3892421)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197529
(CHEMBL3944308)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O |r,wU:13.15,3.2,6.7,wD:26.29,8.11,THB:10:8:5.4:1,(19.19,-13.84,;19.2,-15.38,;17.7,-15.78,;20.04,-16.52,;19.39,-17.68,;19.32,-18.96,;20.22,-17.79,;20.62,-19.27,;21.62,-17.83,;21.61,-16.65,;22.96,-18.59,;24.29,-17.83,;24.29,-16.28,;25.63,-18.59,;25.63,-20.14,;24.29,-20.91,;22.96,-20.1,;21.62,-20.87,;21.6,-22.41,;22.93,-23.2,;24.29,-22.44,;26.98,-17.82,;28.33,-18.6,;27.22,-19.69,;29.41,-19.69,;29.68,-17.83,;31.03,-18.6,;31.03,-20.15,;32.36,-20.92,;32.35,-22.46,;33.68,-23.23,;35.01,-22.46,;36.34,-23.24,;35.02,-20.92,;33.68,-20.14,;32.36,-17.84,;33.69,-18.6,;32.36,-16.29,)| Show InChI InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197537
(CHEMBL3924916)Show SMILES C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:18:19:22:26.25.24,THB:20:19:22.21.26:24,20:21:24:28.19.27,27:19:22:26.25.24,27:25:22:28.19.20| Show InChI InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197546
(CHEMBL3910436)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C26H47N5O6S/c1-25(2)18-12-13-26(25,3)21(16-18)29-22(32)20(15-17-9-5-4-6-10-17)31-38(36,37)30-19(23(33)34)11-7-8-14-28-24(27)35/h17-21,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)(H3,27,28,35)/t18-,19+,20+,21+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197530
(CHEMBL3952730)Show SMILES CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:23:24:28.27:31| Show InChI InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B2
(Homo sapiens (Human)) | BDBM50197532
(CHEMBL3974592)Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1 |r,THB:10:8:5.4:1| Show InChI InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay |
J Med Chem 59: 9567-9573 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2 |
More data for this
Ligand-Target Pair | |
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