Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098637' 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)) | BDBM50098637
(1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...)Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(3.85,.09,;3.46,-1.42,;1.96,-1.83,;1.58,-3.31,;2.91,-4.08,;4.46,-3.4,;5.89,-3.98,;7.31,-3.4,;7.89,-1.96,;7.31,-.56,;5.89,.03,;4.46,-.56,;3.89,-1.99,;.24,-2.57,;-1.09,-3.31,;-1.08,-4.85,;.27,-5.62,;1.61,-4.85,;-2.39,-5.65,;-3.72,-4.88,;-3.74,-3.34,;-5.05,-5.65,;-6.37,-4.88,;-6.37,-3.34,;-7.71,-2.57,;-9.05,-3.34,;-9.03,-4.88,;-7.72,-5.65,;-7.71,-7.19,;-6.4,-7.95,;-6.41,-9.46,;-5.08,-10.25,;-3.74,-9.49,;-3.74,-7.95,;-5.05,-7.19,)| Show InChI InChI=1S/C31H42N2O2/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/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/p+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | 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) | BDBM50098637
(1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...)Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(3.85,.09,;3.46,-1.42,;1.96,-1.83,;1.58,-3.31,;2.91,-4.08,;4.46,-3.4,;5.89,-3.98,;7.31,-3.4,;7.89,-1.96,;7.31,-.56,;5.89,.03,;4.46,-.56,;3.89,-1.99,;.24,-2.57,;-1.09,-3.31,;-1.08,-4.85,;.27,-5.62,;1.61,-4.85,;-2.39,-5.65,;-3.72,-4.88,;-3.74,-3.34,;-5.05,-5.65,;-6.37,-4.88,;-6.37,-3.34,;-7.71,-2.57,;-9.05,-3.34,;-9.03,-4.88,;-7.72,-5.65,;-7.71,-7.19,;-6.4,-7.95,;-6.41,-9.46,;-5.08,-10.25,;-3.74,-9.49,;-3.74,-7.95,;-5.05,-7.19,)| Show InChI InChI=1S/C31H42N2O2/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/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/p+1 | 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 | |