Found 11 hits of Enzyme Inhibition Constant Data 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400788
(CHEMBL2203612)Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400791
(CHEMBL2203619)Show SMILES Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400795
(CHEMBL2203615)Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:18:17:16.10.11:13.14| Show InChI InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400794
(CHEMBL2203616)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:18:17:16.10.11:13.14| Show InChI InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400787
(CHEMBL2203613)Show SMILES C[C@H]1C[C@@H](C[C@@H](C)N1CC[C@H](NC(=O)C1CCC1)c1ccccc1)n1c(C)nc2ccccc12 |r| Show InChI InChI=1S/C29H38N4O/c1-20-18-25(33-22(3)30-27-14-7-8-15-28(27)33)19-21(2)32(20)17-16-26(23-10-5-4-6-11-23)31-29(34)24-12-9-13-24/h4-8,10-11,14-15,20-21,24-26H,9,12-13,16-19H2,1-3H3,(H,31,34)/t20-,21+,25-,26-/m0/s1 | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400788
(CHEMBL2203612)Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400792
(CHEMBL2203618)Show SMILES Cc1nc2ccccc2n1C1[C@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C27H32N4O/c1-18-28-24-12-5-6-13-25(24)31(18)26-21-16-30(17-22(21)26)15-14-23(19-8-3-2-4-9-19)29-27(32)20-10-7-11-20/h2-6,8-9,12-13,20-23,26H,7,10-11,14-17H2,1H3,(H,29,32)/t21-,22+,23-,26?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400796
(CHEMBL2203614)Show SMILES Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H34N4O/c1-20-28-25-12-5-6-13-26(25)31(20)23-14-17-30(18-15-23)19-16-24(21-8-3-2-4-9-21)29-27(32)22-10-7-11-22/h2-6,8-9,12-13,22-24H,7,10-11,14-19H2,1H3,(H,29,32)/t24-/m0/s1 | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400790
(CHEMBL2203620)Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2CSC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.14.13| Show InChI InChI=1S/C29H36N4OS/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400789
(CHEMBL2203621)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,TLB:19:18:14.13.15:11.17.10| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24-,25+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50400793
(CHEMBL2203617)Show SMILES Cc1nc2ccccc2n1C1CN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)C1 |r| Show InChI InChI=1S/C25H30N4O/c1-18-26-23-12-5-6-13-24(23)29(18)21-16-28(17-21)15-14-22(19-8-3-2-4-9-19)27-25(30)20-10-7-11-20/h2-6,8-9,12-13,20-22H,7,10-11,14-17H2,1H3,(H,27,30)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor |
Chem Biol Drug Des 67: 305-8 (2006)
Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44 |
More data for this
Ligand-Target Pair | |
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