Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 1
Ligand
BDBM50098630
Substrate
n/a
Meas. Tech.
ChEMBL_218695 (CHEMBL821481)
IC50
710±n/a nM
Citation
 Naya, A; Sagara, Y; Ohwaki, K; Saeki, T; Ichikawa, D; Iwasawa, Y; Noguchi, K; Ohtake, N Design, synthesis, and discovery of a novel CCR1 antagonist. J Med Chem 44:1429-35 (2001) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 1
Synonyms:
C-C CKR-1 | CC-CKR-1 | CCR-1 | CCR1_MOUSE | CD_antigen=CD191 | Ccr1 | Cmkbr1 | MIP-1alpha-R | Macrophage inflammatory protein 1-alpha receptor | RANTES-R
Type:
PROTEIN
Mol. Mass.:
40904.59
Organism:
Mouse
Description:
ChEMBL_1452291
Residue:
355
Sequence:
MEISDFTEAYPTTTEFDYGDSTPCQKTAVRAFGAGLLPPLYSLVFIIGVVGNVLVILVLMQHRRLQSMTSIYLFNLAVSDLVFLFTLPFWIDYKLKDDWIFGDAMCKLLSGFYYLGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGIITSIITWALAILASMPALYFFKAQWEFTHRTCSPHFPYKSLKQWKRFQALKLNLLGLILPLLVMIICYAGIIRILLRRPSEKKVKAVRLIFAITLLFFLLWTPYNLSVFVSAFQDVLFTNQCEQSKQLDLAMQVTEVIAYTHCCVNPIIYVFVGERFWKYLRQLFQRHVAIPLAKWLPFLSVDQLERTSSISPSTGEHELSAGF
  
Inhibitor
Name:
BDBM50098630
Synonyms:
1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-carbonyl)-amino]-1-methyl-piperidinium; iodide | CHEMBL33929
Type:
Small organic molecule
Emp. Form.:
C29H37Cl2N2O2
Mol. Mass.:
516.522
SMILES:
C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |(9.02,-6.84,;9.03,-8.38,;10.37,-9.15,;11.94,-8.48,;11.34,-7.06,;11.94,-5.63,;13.36,-5.04,;14.77,-5.63,;15.37,-7.06,;14.77,-8.47,;13.36,-9.06,;7.68,-7.65,;6.36,-8.38,;6.36,-9.92,;7.71,-10.69,;9.06,-9.92,;5.04,-10.69,;3.7,-9.92,;3.69,-8.38,;2.39,-10.69,;1.06,-9.92,;1.06,-8.38,;-.28,-7.61,;-.29,-6.07,;-1.63,-8.38,;-1.6,-9.95,;-.29,-10.69,;-.31,-12.23,;1.04,-13,;1.03,-14.53,;2.35,-15.31,;3.7,-14.54,;5.18,-14.95,;3.7,-13.03,;2.39,-12.23,)|
Structure:
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