Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50350051' 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 |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50350051
(CHEMBL1813443)Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)| Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization |
Bioorg Med Chem 19: 4028-42 (2011)
Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50350051
(CHEMBL1813443)Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)| Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin... |
Bioorg Med Chem 19: 4028-42 (2011)
Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q |
More data for this Ligand-Target Pair | |