BDBM50400795 CHEMBL2203615
SMILES: Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1
InChI Key: InChIKey=XZCJCPMLMYYDQU-QYOOZWMWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50400795 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
CCR5/mu opioid receptor complex
(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 UniProtKB/TrEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of MIP-1beta from human CCR5 expressed in HEK293 cells |
J Med Chem 61: 6421-6467 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00180 BindingDB Entry DOI: 10.7270/Q2DJ5J62 |
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 UniProtKB/TrEMBL
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 | |