Found 136 hits with Last Name = 'dell' and Initial = 'v' 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 B
(Homo sapiens (Human)) | BDBM50270378
(CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r| Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270380
(CHEMBL515968 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES COc1ccc(cc1)[C@@H]1O[C@@]1([Si](C)(C)C)P(=S)(N(C(C)C)C(C)C)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H45N2O2PSSi/c1-17(2)25(18(3)4)29(30,26(19(5)6)20(7)8)24(31(10,11)12)23(28-24)21-13-15-22(27-9)16-14-21/h13-20,23H,1-12H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270379
(CHEMBL515809 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)C(F)(F)F)[Si](C)(C)C |r| Show InChI InChI=1S/C24H42F3N2OPSSi/c1-16(2)28(17(3)4)31(32,29(18(5)6)19(7)8)24(33(9,10)11)22(30-24)20-12-14-21(15-13-20)23(25,26)27/h12-19,22H,1-11H3/t22-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270386
(CHEMBL477076 | trans-(2RS,3RS)-3-(2-Thienyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccs1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-13-12-14-27-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270381
(CHEMBL478555 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(C)cc1)[Si](C)(C)C |r| Show InChI InChI=1S/C24H45N2OPSSi/c1-17(2)25(18(3)4)28(29,26(19(5)6)20(7)8)24(30(10,11)12)23(27-24)22-15-13-21(9)14-16-22/h13-20,23H,1-12H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270387
(CHEMBL518749 | trans-(2RS,3RS)-3-(3-Thienyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccsc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-12-13-27-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270385
(CHEMBL477075 | trans-(2RS,3RS)-3-(4-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccncc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-12-14-23-15-13-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270383
(CHEMBL477074 | trans-(2RS,3RS)-3-(2-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccccn1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-14-12-13-15-23-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270384
(CHEMBL515948 | trans-(2RS,3RS)-3-(3-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccnc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270392
(CHEMBL477269 | trans-(2RS,3RS)-3-(3-Furyl)-2-trime...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccoc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2O2PSSi/c1-15(2)22(16(3)4)26(27,23(17(5)6)18(7)8)21(28(9,10)11)20(25-21)19-12-13-24-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50270391
(CHEMBL514710 | trans-(2RS,3RS)-3-(2-Furyl)-2-trime...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccco1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2O2PSSi/c1-15(2)22(16(3)4)26(27,23(17(5)6)18(7)8)21(28(9,10)11)20(25-21)19-13-12-14-24-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human carboxypeptidase B |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270384
(CHEMBL515948 | trans-(2RS,3RS)-3-(3-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccnc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270385
(CHEMBL477075 | trans-(2RS,3RS)-3-(4-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccncc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-12-14-23-15-13-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270381
(CHEMBL478555 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(C)cc1)[Si](C)(C)C |r| Show InChI InChI=1S/C24H45N2OPSSi/c1-17(2)25(18(3)4)28(29,26(19(5)6)20(7)8)24(30(10,11)12)23(27-24)22-15-13-21(9)14-16-22/h13-20,23H,1-12H3/t23-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270378
(CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r| Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270383
(CHEMBL477074 | trans-(2RS,3RS)-3-(2-Pyridyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccccn1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-14-12-13-15-23-20/h12-19,21H,1-11H3/t21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270387
(CHEMBL518749 | trans-(2RS,3RS)-3-(3-Thienyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccsc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-12-13-27-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270380
(CHEMBL515968 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES COc1ccc(cc1)[C@@H]1O[C@@]1([Si](C)(C)C)P(=S)(N(C(C)C)C(C)C)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H45N2O2PSSi/c1-17(2)25(18(3)4)29(30,26(19(5)6)20(7)8)24(31(10,11)12)23(28-24)21-13-15-22(27-9)16-14-21/h13-20,23H,1-12H3/t23-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270391
(CHEMBL514710 | trans-(2RS,3RS)-3-(2-Furyl)-2-trime...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccco1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2O2PSSi/c1-15(2)22(16(3)4)26(27,23(17(5)6)18(7)8)21(28(9,10)11)20(25-21)19-13-12-14-24-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270392
(CHEMBL477269 | trans-(2RS,3RS)-3-(3-Furyl)-2-trime...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccoc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2O2PSSi/c1-15(2)22(16(3)4)26(27,23(17(5)6)18(7)8)21(28(9,10)11)20(25-21)19-12-13-24-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270386
(CHEMBL477076 | trans-(2RS,3RS)-3-(2-Thienyl)-2-tri...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccs1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-13-12-14-27-19/h12-18,20H,1-11H3/t20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Carboxypeptidase A1
(Bos taurus (bovine)) | BDBM50270379
(CHEMBL515809 | trans-1,1,3,3-tetraisopropyl-2-((2S...)Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)C(F)(F)F)[Si](C)(C)C |r| Show InChI InChI=1S/C24H42F3N2OPSSi/c1-16(2)28(17(3)4)31(32,29(18(5)6)19(7)8)24(33(9,10)11)22(30-24)20-12-14-21(15-13-20)23(25,26)27/h12-19,22H,1-11H3/t22-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of bovine pancreatic carboxypeptidase A |
Bioorg Med Chem 16: 4823-8 (2008)
Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353820
(CHEMBL1829432)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269976
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)| Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.87 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269975
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Har-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,98.98,wD:16.21,93.94,72.72,55.55,107.107,4.4,44.44,29.34,(18.87,-52.12,;17.53,-51.38,;17.51,-49.85,;16.17,-49.1,;16.14,-47.57,;14.85,-46.76,;13.48,-47.48,;13.49,-49.03,;12.21,-46.62,;12.21,-45.07,;13.55,-44.3,;13.55,-42.76,;14.87,-45.07,;10.99,-47.51,;9.63,-46.79,;9.63,-45.24,;8.36,-47.66,;8.36,-49.2,;9.69,-49.97,;9.69,-51.5,;8.36,-52.28,;11.02,-52.28,;7.15,-46.77,;5.78,-47.5,;5.79,-49.05,;4.5,-46.63,;3.29,-47.53,;1.94,-46.81,;1.94,-45.26,;.66,-47.67,;.66,-49.22,;1.99,-49.99,;1.99,-51.52,;.67,-52.3,;3.33,-52.3,;-.55,-46.78,;-1.91,-47.51,;-1.9,-49.05,;-3.18,-46.64,;-2.37,-45.34,;-4.02,-47.92,;-4.49,-45.89,;-4.52,-44.35,;-3.18,-43.6,;-5.92,-43.66,;-5.92,-42.16,;-7.31,-41.5,;-8.55,-42.43,;-7.31,-39.97,;-5.78,-39.96,;-8.85,-39.99,;-7.34,-38.44,;-7.26,-44.43,;-7.27,-45.97,;-8.58,-43.65,;4.5,-45.09,;5.84,-44.32,;3.17,-44.32,;3.16,-42.77,;17.33,-46.78,;17.34,-45.23,;18.7,-47.51,;19.91,-46.62,;19.91,-45.08,;21.25,-44.3,;22.72,-44.8,;23.63,-43.56,;22.74,-42.3,;21.26,-42.76,;21.19,-47.49,;21.2,-49.03,;22.55,-46.76,;23.77,-47.65,;23.77,-49.19,;25.09,-49.97,;25.1,-51.5,;23.77,-52.27,;26.44,-52.27,;25.05,-46.78,;25.05,-45.24,;26.42,-47.51,;27.63,-46.62,;27.63,-45.08,;28.97,-44.31,;28.97,-42.77,;30.3,-42,;30.3,-40.47,;31.62,-39.7,;31.62,-38.17,;32.95,-40.47,;28.9,-47.49,;28.91,-49.04,;30.27,-46.77,;31.47,-47.66,;31.47,-49.2,;32.75,-46.79,;32.76,-45.24,;34.12,-47.52,;35.34,-46.63,;35.34,-45.09,;36.67,-44.31,;36.67,-42.77,;38,-42.01,;38,-40.47,;36.62,-47.5,;36.62,-49.04,;37.98,-46.76,;39.32,-47.49,;39.35,-49.03,;40.69,-49.76,;40.72,-51.29,;42.06,-52.03,;43.37,-51.24,;44.71,-51.97,;43.33,-49.7,;41.99,-48.97,;40.63,-46.7,;41.97,-47.43,;40.6,-45.17,)| Show InChI InChI=1S/C77H129N23O19/c1-13-15-20-47(91-69(114)54(35-40(3)4)95-67(112)51(28-31-57(80)103)93-71(116)60(42(7)14-2)98-68(113)52(29-32-58(104)105)97-74(119)77(11,12)100-72(117)59(41(5)6)99-73(118)76(9,10)84)65(110)96-55(37-45-38-85-39-87-45)70(115)92-50(27-30-56(79)102)66(111)90-48(22-17-19-34-86-75(82)83)63(108)88-43(8)62(107)89-49(21-16-18-33-78)64(109)94-53(61(81)106)36-44-23-25-46(101)26-24-44/h23-26,38-43,47-55,59-60,101H,13-22,27-37,78,84H2,1-12H3,(H2,79,102)(H2,80,103)(H2,81,106)(H,85,87)(H,88,108)(H,89,107)(H,90,111)(H,91,114)(H,92,115)(H,93,116)(H,94,109)(H,95,112)(H,96,110)(H,97,119)(H,98,113)(H,99,118)(H,100,117)(H,104,105)(H4,82,83,86)/t42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353821
(CHEMBL1829246)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353823
(CHEMBL1829422)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccoc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269978
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:62.61,8.12,81.81,97.97,25.25,wD:55.55,44.44,4.4,29.34,92.93,72.72,130.134,16.21,(17.08,-55.29,;15.74,-54.54,;15.72,-53,;14.37,-52.25,;14.35,-50.72,;13.05,-49.9,;11.68,-50.63,;11.69,-52.18,;10.41,-49.76,;10.41,-48.21,;11.75,-47.44,;11.75,-45.89,;13.08,-48.22,;9.18,-50.66,;7.82,-49.93,;7.82,-48.38,;6.54,-50.81,;6.54,-52.35,;7.88,-53.13,;7.88,-54.66,;6.54,-55.44,;9.21,-55.44,;5.33,-49.91,;3.96,-50.65,;3.97,-52.2,;2.68,-49.78,;1.46,-50.68,;.1,-49.96,;.11,-48.4,;-1.17,-50.82,;-1.17,-52.37,;.16,-53.14,;.16,-54.68,;-1.17,-55.47,;1.5,-55.47,;-2.39,-49.93,;-3.75,-50.66,;-3.74,-52.21,;-5.02,-49.78,;-4.21,-48.48,;-5.88,-51.07,;-6.33,-49.03,;-6.37,-47.49,;-5.03,-46.73,;-7.78,-46.8,;-7.77,-45.29,;-9.18,-44.63,;-10.4,-45.56,;-9.17,-43.1,;-7.63,-43.08,;-10.7,-43.12,;-9.19,-41.56,;-9.11,-47.57,;-9.14,-49.11,;-10.44,-46.79,;2.68,-48.23,;4.02,-47.46,;1.34,-47.45,;1.33,-45.91,;15.54,-49.93,;15.55,-48.38,;16.91,-50.66,;18.13,-49.76,;18.13,-48.22,;19.47,-47.44,;20.94,-47.94,;21.86,-46.7,;20.97,-45.43,;19.48,-45.89,;19.42,-50.64,;19.42,-52.19,;20.78,-49.91,;22,-50.8,;22,-52.35,;23.33,-53.12,;23.33,-54.66,;22,-55.44,;24.68,-55.43,;23.28,-49.93,;23.29,-48.38,;24.65,-50.66,;25.87,-49.77,;25.87,-48.22,;27.21,-47.45,;27.21,-45.9,;28.54,-45.13,;28.54,-43.6,;29.87,-42.83,;27.21,-42.83,;27.15,-50.64,;27.15,-52.19,;28.51,-49.91,;29.72,-50.81,;29.73,-52.35,;31.01,-49.93,;31.01,-48.38,;32.36,-50.66,;33.68,-49.87,;33.68,-48.34,;32.34,-47.58,;32.33,-46.04,;31,-45.28,;30.97,-43.74,;32.28,-42.95,;33.63,-43.7,;32.25,-41.42,;30.72,-41.45,;29.92,-40.13,;30.67,-38.78,;32.2,-38.76,;32.99,-40.08,;34.52,-40.06,;35.27,-38.71,;34.48,-37.39,;35.23,-36.05,;36.77,-36.03,;37.52,-34.69,;37.56,-37.34,;36.82,-38.69,;37.62,-40.01,;36.85,-41.36,;37.65,-42.68,;36.89,-44.03,;37.67,-45.35,;35.35,-44.05,;34.56,-42.72,;35.31,-41.38,;35.02,-50.64,;35.03,-52.17,;36.35,-49.86,;37.68,-50.62,;37.69,-52.15,;39.03,-52.92,;39.02,-54.45,;40.36,-55.21,;41.69,-54.44,;43.02,-55.2,;41.67,-52.89,;40.34,-52.14,;39.01,-49.84,;40.34,-50.6,;39,-48.31,)| Show InChI InChI=1S/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353822
(CHEMBL1829431)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2onc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O3/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353760
(CHEMBL1829248)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cccc(F)c1 Show InChI InChI=1S/C27H29FN4O2S/c1-3-23(31(14-5-13-29)26(33)20-10-8-18(2)9-11-20)25-30-22-12-15-35-24(22)27(34)32(25)17-19-6-4-7-21(28)16-19/h4,6-12,15-16,23H,3,5,13-14,17,29H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353761
(CHEMBL1829406)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H29FN4O2S/c1-3-23(31(14-7-13-29)26(33)20-11-10-18(2)21(28)16-20)25-30-22-12-15-35-24(22)27(34)32(25)17-19-8-5-4-6-9-19/h4-6,8-12,15-16,23H,3,7,13-14,17,29H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353762
(CHEMBL1829423)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccn(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2/c1-4-24(32(17-8-16-29)27(34)22-13-11-20(2)12-14-22)26-30-23-15-18-31(3)25(23)28(35)33(26)19-21-9-6-5-7-10-21/h5-7,9-15,18,24H,4,8,16-17,19,29H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353763
(CHEMBL1829401)Show SMILES CCC(N(CCCN)C(=O)c1ccc(Br)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C26H27BrN4O2S/c1-2-22(30(15-6-14-28)25(32)19-9-11-20(27)12-10-19)24-29-21-13-16-34-23(21)26(33)31(24)17-18-7-4-3-5-8-18/h3-5,7-13,16,22H,2,6,14-15,17,28H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353764
(CHEMBL1829420)Show SMILES CCC(N(CCCN)C(=O)c1ccc2ccccc2c1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H30N4O2S/c1-2-26(33(17-8-16-31)29(35)24-14-13-22-11-6-7-12-23(22)19-24)28-32-25-15-18-37-27(25)30(36)34(28)20-21-9-4-3-5-10-21/h3-7,9-15,18-19,26H,2,8,16-17,20,31H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353765
(CHEMBL1829418)Show SMILES CCC(N(CCCN)C(=O)c1cc2ccccc2s1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H28N4O2S2/c1-2-22(31(15-8-14-29)27(33)24-17-20-11-6-7-12-23(20)36-24)26-30-21-13-16-35-25(21)28(34)32(26)18-19-9-4-3-5-10-19/h3-7,9-13,16-17,22H,2,8,14-15,18,29H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353766
(CHEMBL1829399)Show SMILES CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C26H27ClN4O2S/c1-2-22(30(15-6-14-28)25(32)19-9-11-20(27)12-10-19)24-29-21-13-16-34-23(21)26(33)31(24)17-18-7-4-3-5-8-18/h3-5,7-13,16,22H,2,6,14-15,17,28H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269976
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)| Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells in presence of SW106 |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353768
(CHEMBL1829426)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sc(Cl)cc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H29ClN4O2S/c1-3-22(31(15-7-14-29)26(33)20-12-10-18(2)11-13-20)24-30-25-21(16-23(28)35-25)27(34)32(24)17-19-8-5-4-6-9-19/h4-6,8-13,16,22H,3,7,14-15,17,29H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353769
(CHEMBL1828638)Show SMILES CCC(N(CCCN)C(=O)c1cccc(C)c1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(15-8-14-28)26(32)21-12-7-9-19(2)17-21)25-29-22-13-16-34-24(22)27(33)31(25)18-20-10-5-4-6-11-20/h4-7,9-13,16-17,23H,3,8,14-15,18,28H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353770
(CHEMBL1829407)Show SMILES CCC(N(CCCN)C(=O)c1ccc(CC)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H32N4O2S/c1-3-20-11-13-22(14-12-20)27(33)31(17-8-16-29)24(4-2)26-30-23-15-18-35-25(23)28(34)32(26)19-21-9-6-5-7-10-21/h5-7,9-15,18,24H,3-4,8,16-17,19,29H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269977
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:62.61,8.12,97.97,81.81,25.25,118.119,wD:55.55,106.106,4.4,44.44,29.34,16.21,92.93,72.72,(16.67,-31.38,;15.33,-30.63,;15.31,-29.09,;13.97,-28.35,;13.94,-26.81,;12.64,-26,;11.27,-26.72,;11.28,-28.28,;10,-25.85,;10,-24.31,;11.34,-23.53,;11.34,-21.99,;12.67,-24.31,;8.78,-26.75,;7.41,-26.03,;7.42,-24.48,;6.13,-26.9,;6.14,-28.44,;7.47,-29.22,;7.47,-30.76,;6.14,-31.53,;8.8,-31.53,;4.92,-26,;3.55,-26.74,;3.56,-28.29,;2.27,-25.87,;1.05,-26.77,;-.3,-26.05,;-.3,-24.49,;-1.58,-26.92,;-1.58,-28.46,;-.25,-29.24,;-.25,-30.77,;-1.58,-31.56,;1.09,-31.56,;-2.8,-26.02,;-4.15,-26.75,;-4.15,-28.3,;-5.43,-25.88,;-4.62,-24.58,;-6.27,-27.16,;-6.75,-25.13,;-6.78,-23.59,;-5.43,-22.83,;-8.17,-22.89,;-8.18,-21.39,;-9.57,-20.73,;-10.82,-21.65,;-9.58,-19.19,;-8.04,-19.18,;-11.11,-19.21,;-9.6,-17.65,;-9.53,-23.66,;-9.53,-25.2,;-10.85,-22.88,;2.27,-24.33,;3.61,-23.55,;.93,-23.55,;.92,-22,;15.13,-26.02,;15.15,-24.47,;16.5,-26.75,;17.72,-25.86,;17.72,-24.31,;19.06,-23.53,;20.53,-24.03,;21.45,-22.79,;20.56,-21.53,;19.07,-21.99,;19.01,-26.73,;19.01,-28.28,;20.37,-26,;21.59,-26.89,;21.59,-28.44,;22.92,-29.21,;22.92,-30.75,;21.59,-31.53,;24.27,-31.53,;22.87,-26.02,;22.88,-24.47,;24.24,-26.75,;25.46,-25.86,;25.46,-24.31,;26.8,-23.54,;26.8,-21.99,;28.13,-21.23,;28.13,-19.69,;29.46,-18.92,;26.8,-18.92,;26.74,-26.73,;26.74,-28.28,;28.1,-26,;29.31,-26.9,;29.31,-28.44,;30.6,-26.03,;30.6,-24.48,;31.97,-26.76,;33.19,-25.87,;33.19,-24.32,;34.53,-23.54,;34.53,-22,;35.86,-21.23,;35.86,-19.69,;34.47,-26.74,;34.48,-28.29,;35.83,-26,;37.18,-26.73,;37.21,-28.27,;38.56,-29.01,;38.58,-30.54,;39.93,-31.28,;41.24,-30.49,;42.59,-31.23,;41.2,-28.95,;39.86,-28.21,;38.49,-25.94,;38.46,-24.4,;39.84,-26.67,;41.16,-25.89,;41.15,-24.36,;39.82,-23.6,;39.81,-22.06,;38.48,-21.3,;38.45,-19.76,;39.76,-18.97,;41.1,-19.72,;39.72,-17.44,;38.19,-17.47,;37.4,-16.15,;38.14,-14.8,;39.68,-14.78,;40.47,-16.1,;41.99,-16.08,;42.74,-14.73,;41.96,-13.41,;42.71,-12.07,;44.25,-12.05,;44.99,-10.71,;45.04,-13.36,;44.3,-14.71,;45.1,-16.03,;44.33,-17.38,;45.12,-18.7,;44.36,-20.05,;45.15,-21.37,;42.82,-20.07,;42.04,-18.74,;42.79,-17.4,;42.5,-26.65,;42.51,-28.19,;43.83,-25.88,)| Show InChI InChI=1S/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353771
(CHEMBL1829250)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccc(C)cc1 Show InChI InChI=1S/C28H32N4O2S/c1-4-24(31(16-5-15-29)27(33)22-12-8-20(3)9-13-22)26-30-23-14-17-35-25(23)28(34)32(26)18-21-10-6-19(2)7-11-21/h6-14,17,24H,4-5,15-16,18,29H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
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