Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 1
Ligand
BDBM50096540
Substrate
n/a
Meas. Tech.
ChEBML_49835
IC50
10000±n/a nM
Citation
 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 2: structure-activity relationships for substituted 2-Aryl-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-(piperidin-1-yl)butanes. Bioorg Med Chem Lett 11:265-70 (2001) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 1
Synonyms:
C-C CKR-1 | C-C chemokine receptor type 1 (CCR1) | CC-CKR-1 | CCR-1 | CCR1 | CCR1_HUMAN | CD_antigen=CD191 | CMKBR1 | CMKR1 | HM145 | LD78 receptor | MIP-1alpha-R | Macrophage inflammatory protein 1-alpha receptor | RANTES-R | SCYAR1
Type:
Enzyme
Mol. Mass.:
41180.69
Organism:
Homo sapiens (Human)
Description:
P32246
Residue:
355
Sequence:
METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
  
Inhibitor
Name:
BDBM50096540
Synonyms:
(2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide | 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)] | 1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane | CHEMBL83338 | N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H33ClN2O3S2
Mol. Mass.:
557.167
SMILES:
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Structure:
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