Found 2 hits of ic50 for monomerid = 50236210 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Lethal factor
(Bacillus anthracis) | BDBM50236210
(CHEMBL4078311)Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N2 |r| Show InChI InChI=1S/C83H139N33O19S6/c1-8-41(5)60-76(133)112-55-37-139-136-34-52(70(127)103-47(22-15-27-96-81(88)89)65(122)102-45(20-13-25-94-79(84)85)63(120)100-33-59(119)114-60)110-68(125)50(30-40(3)4)107-73(130)54-36-138-140-38-56(109-67(124)49(105-72(55)129)24-17-29-98-83(92)93)74(131)115-61(42(6)9-2)77(134)113-57-39-141-137-35-53(71(128)104-48(66(123)108-54)23-16-28-97-82(90)91)111-69(126)51(31-44-18-11-10-12-19-44)101-58(118)32-99-64(121)46(21-14-26-95-80(86)87)106-78(135)62(43(7)117)116-75(57)132/h10-12,18-19,40-43,45-57,60-62,117H,8-9,13-17,20-39H2,1-7H3,(H,99,121)(H,100,120)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,129)(H,106,135)(H,107,130)(H,108,123)(H,109,124)(H,110,125)(H,111,126)(H,112,133)(H,113,134)(H,114,119)(H,115,131)(H,116,132)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis lethal factor protease preincubated for 30 mins prior to addition of substrate containing fluorescent proteins CyPet... |
J Med Chem 60: 1916-1927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01689 BindingDB Entry DOI: 10.7270/Q2377C05 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50236210
(CHEMBL4078311)Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N2 |r| Show InChI InChI=1S/C83H139N33O19S6/c1-8-41(5)60-76(133)112-55-37-139-136-34-52(70(127)103-47(22-15-27-96-81(88)89)65(122)102-45(20-13-25-94-79(84)85)63(120)100-33-59(119)114-60)110-68(125)50(30-40(3)4)107-73(130)54-36-138-140-38-56(109-67(124)49(105-72(55)129)24-17-29-98-83(92)93)74(131)115-61(42(6)9-2)77(134)113-57-39-141-137-35-53(71(128)104-48(66(123)108-54)23-16-28-97-82(90)91)111-69(126)51(31-44-18-11-10-12-19-44)101-58(118)32-99-64(121)46(21-14-26-95-80(86)87)106-78(135)62(43(7)117)116-75(57)132/h10-12,18-19,40-43,45-57,60-62,117H,8-9,13-17,20-39H2,1-7H3,(H,99,121)(H,100,120)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,129)(H,106,135)(H,107,130)(H,108,123)(H,109,124)(H,110,125)(H,111,126)(H,112,133)(H,113,134)(H,114,119)(H,115,131)(H,116,132)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TACE extracellular domain (215 to 671 residues) assessed as inhibition of proteolytic activity preincubated for 30 mi... |
J Med Chem 60: 1916-1927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01689 BindingDB Entry DOI: 10.7270/Q2377C05 |
More data for this Ligand-Target Pair | |