Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 1
Ligand
BDBM50436305
Substrate
n/a
Meas. Tech.
ChEMBL_966433 (CHEMBL2399021)
IC50
2.6±n/a nM
Citation
Gardner, DS; Santella, JB; Duncia, JV; Carter, PH; Dhar, TG; Wu, H; Guo, W; Cavallaro, C; Van Kirk, K; Yarde, M; Briceno, SW; Grafstrom, RR; Liu, R; Patel, SR; Tebben, AJ; Camac, D; Khan, J; Watson, A; Yang, G; Rose, A; Foster, WR; Cvijic, ME; Davies, P; Hynes, J The discovery of BMS-457, a potent and selective CCR1 antagonist. Bioorg Med Chem Lett 23:3833-40 (2013) [PubMed] Article
More Info.:
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:
BDBM50436305
Synonyms:
CHEMBL2398749
Type:
Small organic molecule
Emp. Form.:
C30H43ClN2O3
Mol. Mass.:
515.127
SMILES:
CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r,TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|