Found 2 hits in this display 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)) | BDBM50464167
(CHEMBL4238266)Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2| Show InChI InChI=1S/C31H41F2N5OS/c1-19(2)29-36-35-20(3)38(29)24-16-22-8-9-23(17-24)37(22)15-12-27(26-18-40-28-7-5-4-6-25(26)28)34-30(39)21-10-13-31(32,33)14-11-21/h4-7,18-19,21-24,27H,8-17H2,1-3H3,(H,34,39)/t22-,23+,24-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux p... |
J Med Chem 61: 9621-9636 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01077 BindingDB Entry DOI: 10.7270/Q2W95CVF |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313977
(US10167299, Example 27)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C31H41F2N5OS/c1-19(2)29-36-35-20(3)38(29)24-16-22-8-9-23(17-24)37(22)15-12-27(26-18-40-28-7-5-4-6-25(26)28)34-30(39)21-10-13-31(32,33)14-11-21/h4-7,18-19,21-24,27H,8-17H2,1-3H3,(H,34,39)/t22?,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |