Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50098642' 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)) | BDBM50098642
(1-Butyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)Show SMILES CCCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(1.45,-.52,;.14,-1.32,;.16,-2.86,;-1.16,-3.64,;-1.14,-5.18,;.2,-5.95,;1.76,-5.26,;1.17,-3.85,;1.76,-2.42,;3.19,-1.83,;4.6,-2.42,;5.2,-3.83,;4.6,-5.26,;3.19,-5.85,;-2.49,-4.44,;-3.81,-5.18,;-3.81,-6.72,;-2.46,-7.49,;-1.11,-6.72,;-5.12,-7.52,;-6.44,-6.75,;-6.47,-5.21,;-7.79,-7.52,;-7.79,-9.06,;-6.47,-9.83,;-6.47,-11.37,;-7.82,-12.13,;-9.13,-11.34,;-9.13,-9.83,;-10.45,-9.06,;-10.45,-7.52,;-11.76,-6.75,;-11.8,-5.21,;-10.45,-4.44,;-9.1,-5.21,;-9.1,-6.75,)| Show InChI InChI=1S/C32H44N2O2/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3/p+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | 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) | BDBM50098642
(1-Butyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)Show SMILES CCCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(1.45,-.52,;.14,-1.32,;.16,-2.86,;-1.16,-3.64,;-1.14,-5.18,;.2,-5.95,;1.76,-5.26,;1.17,-3.85,;1.76,-2.42,;3.19,-1.83,;4.6,-2.42,;5.2,-3.83,;4.6,-5.26,;3.19,-5.85,;-2.49,-4.44,;-3.81,-5.18,;-3.81,-6.72,;-2.46,-7.49,;-1.11,-6.72,;-5.12,-7.52,;-6.44,-6.75,;-6.47,-5.21,;-7.79,-7.52,;-7.79,-9.06,;-6.47,-9.83,;-6.47,-11.37,;-7.82,-12.13,;-9.13,-11.34,;-9.13,-9.83,;-10.45,-9.06,;-10.45,-7.52,;-11.76,-6.75,;-11.8,-5.21,;-10.45,-4.44,;-9.1,-5.21,;-9.1,-6.75,)| Show InChI InChI=1S/C32H44N2O2/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3/p+1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 380 | 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 | |