Reaction Details Report a problem with these data
Target
Serpin H1
Ligand
BDBM50320861
Substrate
n/a
Meas. Tech.
ChEMBL_636318 (CHEMBL1169041)
IC50
43000±n/a nM
Citation
Nishikawa, Y; Takahara, Y; Asada, S; Shigenaga, A; Otaka, A; Kitagawa, K; Koide, T A structure-activity relationship study elucidating the mechanism of sequence-specific collagen recognition by the chaperone HSP47. Bioorg Med Chem 18:3767-75 (2010) [PubMed] Article
More Info.:
Target
Name:
Serpin H1
Synonyms:
Cbp1 | Hsp47 | SERPH_MOUSE | Serpinh1
Type:
PROTEIN
Mol. Mass.:
46545.13
Organism:
Mouse
Description:
ChEMBL_636318
Residue:
417
Sequence:
MRSLLLGTLCLLAVALAAEVKKPLEAAAPGTAEKLSSKATTLAERSTGLAFSLYQAMAKDQAVENILLSPLVVASSLGLVSLGGKATTASQAKAVLSAEKLRDEEVHTGLGELLRSLSNSTARNVTWKLGSRLYGPSSVSFADDFVRSSKQHYNCEHSKINFRDKRSALQSINEWASQTTDGKLPEVTKDVERTDGALLVNAMFFKPHWDEKFHHKMVDNRGFMVTRSYTVGVTMMHRTGLYNYYDDEKEKLQMVEMPLAHKLSSLIILMPHHVEPLERLEKLLTKEQLKAWMGKMQKKAVAISLPKGVVEVTHDLQKHLAGLGLTEAIDKNKADLSRMSGKKDLYLASVFHATAFEWDTEGNPFDQDIYGREELRSPKLFYADHPFIFLVRDNQSGSLLFIGRLVRPKGDKMRDEL
Inhibitor
Name:
BDBM50320861
Synonyms:
CHEMBL1163320
Type:
Small organic molecule
Emp. Form.:
C109H163N31O34S
Mol. Mass.:
2483.713
SMILES:
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r|