Found 2 hits for monomerid = 50004786 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Human immunodeficiency virus type 1 protease
(Human immunodeficiency virus type 1) | BDBM50004786
(CHEMBL268410 | Porphyrin analogue)Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)OC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)c(C)c4C(COC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)OC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)c(C)c3CCC(O)=O |TLB:48:49:53:46.47.52,35:36:40:33.34.39,70:65:72:71.69.68,70:69:72:64.65.66,THB:81:80:77:84.82.83,81:82:77:85.80.79,48:47:53:54.49.50,35:34:40:41.36.37| Show InChI InChI=1S/C78H94N4O12/c1-39-55(5-7-67(83)84)61-24-62-56(6-8-68(85)86)40(2)58(80-62)22-63-70(66(94-74(90)78-34-52-18-53(35-78)20-54(19-52)36-78)38-92-72(88)76-28-46-12-47(29-76)14-48(13-46)30-76)42(4)60(82-63)23-64-69(41(3)59(81-64)21-57(39)79-61)65(93-73(89)77-31-49-15-50(32-77)17-51(16-49)33-77)37-91-71(87)75-25-43-9-44(26-75)11-45(10-43)27-75/h21-24,43-54,65-66,81-82H,5-20,25-38H2,1-4H3,(H,83,84)(H,85,86)/b57-21-,58-22-,59-21-,60-23-,61-24-,62-24-,63-22-,64-23-/t43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,65?,66?,75?,76?,77?,78? | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in 5%DMSO |
J Med Chem 35: 3426-8 (1992)
BindingDB Entry DOI: 10.7270/Q27W6CTB |
More data for this Ligand-Target Pair | |
Human immunodeficiency virus type 2 pol protein
(Human immunodeficiency virus 2) | BDBM50004786
(CHEMBL268410 | Porphyrin analogue)Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)OC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)c(C)c4C(COC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)OC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)c(C)c3CCC(O)=O |TLB:48:49:53:46.47.52,35:36:40:33.34.39,70:65:72:71.69.68,70:69:72:64.65.66,THB:81:80:77:84.82.83,81:82:77:85.80.79,48:47:53:54.49.50,35:34:40:41.36.37| Show InChI InChI=1S/C78H94N4O12/c1-39-55(5-7-67(83)84)61-24-62-56(6-8-68(85)86)40(2)58(80-62)22-63-70(66(94-74(90)78-34-52-18-53(35-78)20-54(19-52)36-78)38-92-72(88)76-28-46-12-47(29-76)14-48(13-46)30-76)42(4)60(82-63)23-64-69(41(3)59(81-64)21-57(39)79-61)65(93-73(89)77-31-49-15-50(32-77)17-51(16-49)33-77)37-91-71(87)75-25-43-9-44(26-75)11-45(10-43)27-75/h21-24,43-54,65-66,81-82H,5-20,25-38H2,1-4H3,(H,83,84)(H,85,86)/b57-21-,58-22-,59-21-,60-23-,61-24-,62-24-,63-22-,64-23-/t43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,65?,66?,75?,76?,77?,78? | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of HIV-2 protease in 5%DMSO |
J Med Chem 35: 3426-8 (1992)
BindingDB Entry DOI: 10.7270/Q27W6CTB |
More data for this Ligand-Target Pair | |