Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098628' 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 1
(Homo sapiens (Human)) | BDBM50098628
(1-Cyclooct-1-enylmethyl-1-propyl-4-[(9H-xanthene-9...)Show SMILES CCC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:5,(8.83,-27.51,;8.85,-29.05,;7.53,-29.84,;7.54,-31.38,;8.89,-32.15,;10.45,-31.45,;11.87,-32.05,;13.28,-31.45,;13.88,-30.04,;13.28,-28.6,;11.87,-28.02,;10.45,-28.62,;9.85,-30.04,;6.2,-30.62,;4.88,-31.38,;4.78,-33.12,;6.23,-33.69,;7.57,-32.9,;3.44,-33.89,;2.22,-32.9,;2.21,-31.38,;.91,-33.69,;.91,-35.22,;2.22,-36,;2.22,-37.53,;.88,-38.28,;-.45,-37.51,;-.44,-35.99,;-1.78,-35.22,;-1.76,-33.69,;-3.08,-32.93,;-3.1,-31.38,;-1.75,-30.61,;-.42,-31.38,;-.42,-32.9,)| Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-12,14-17,25,30H,2-7,13,18-23H2,1H3/p+1/b24-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors. |
J Med Chem 44: 1429-35 (2001)
BindingDB Entry DOI: 10.7270/Q2G73D0G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Mus musculus) | BDBM50098628
(1-Cyclooct-1-enylmethyl-1-propyl-4-[(9H-xanthene-9...)Show SMILES CCC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:5,(8.83,-27.51,;8.85,-29.05,;7.53,-29.84,;7.54,-31.38,;8.89,-32.15,;10.45,-31.45,;11.87,-32.05,;13.28,-31.45,;13.88,-30.04,;13.28,-28.6,;11.87,-28.02,;10.45,-28.62,;9.85,-30.04,;6.2,-30.62,;4.88,-31.38,;4.78,-33.12,;6.23,-33.69,;7.57,-32.9,;3.44,-33.89,;2.22,-32.9,;2.21,-31.38,;.91,-33.69,;.91,-35.22,;2.22,-36,;2.22,-37.53,;.88,-38.28,;-.45,-37.51,;-.44,-35.99,;-1.78,-35.22,;-1.76,-33.69,;-3.08,-32.93,;-3.1,-31.38,;-1.75,-30.61,;-.42,-31.38,;-.42,-32.9,)| Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-12,14-17,25,30H,2-7,13,18-23H2,1H3/p+1/b24-12+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors. |
J Med Chem 44: 1429-35 (2001)
BindingDB Entry DOI: 10.7270/Q2G73D0G |
More data for this
Ligand-Target Pair | |
Search and Browse
