Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 1
Ligand
BDBM50210992
Substrate
n/a
Meas. Tech.
ChEMBL_444181 (CHEMBL892289)
IC50
7±n/a nM
Citation
 Xie, YF; Lake, K; Ligsay, K; Komandla, M; Sircar, I; Nagarajan, G; Li, J; Xu, K; Parise, J; Schneider, L; Huang, D; Liu, J; Dines, K; Sakurai, N; Barbosa, M; Jack, R Structure-activity relationships of novel, highly potent, selective, and orally active CCR1 antagonists. Bioorg Med Chem Lett 17:3367-72 (2007) [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:
BDBM50210992
Synonyms:
(R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenylamino)-4-aminocyclobut-3-ene-1,2-dione | CHEMBL389293
Type:
Small organic molecule
Emp. Form.:
C25H24ClFN4O3
Mol. Mass.:
482.934
SMILES:
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Structure:
Search PDB for entries with ligand similarity: