Found 2 hits for monomerid = 50191253 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 integrase
(Human immunodeficiency virus 1) | BDBM50191253
(CHEMBL373670 | TAYFLLILAGRW-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:4.4,35.45,68.70,54.57,16.20,77.78,52.54,wD:24.32,2.2,60.61,47.49,88.89,8.12,(18.96,-16.38,;18.96,-17.91,;20.29,-18.68,;21.61,-17.9,;20.29,-20.22,;18.95,-20.98,;17.62,-20.22,;17.62,-18.68,;16.28,-20.98,;16.28,-22.52,;17.62,-23.3,;17.62,-24.84,;18.95,-22.52,;14.95,-20.22,;13.61,-20.98,;13.61,-22.52,;12.28,-20.22,;12.28,-18.68,;13.61,-17.9,;14.95,-18.68,;13.61,-16.36,;10.94,-20.98,;9.62,-20.22,;9.62,-18.68,;8.28,-20.98,;8.28,-22.52,;9.62,-23.3,;9.61,-24.84,;10.94,-25.6,;12.28,-24.84,;12.27,-23.29,;10.94,-22.52,;6.95,-20.22,;5.61,-20.98,;5.61,-22.52,;4.28,-20.22,;4.28,-18.68,;5.61,-17.9,;6.95,-18.68,;8.28,-17.91,;8.28,-16.37,;9.61,-15.6,;6.94,-15.6,;5.61,-16.37,;2.94,-20.98,;1.61,-20.22,;1.61,-18.68,;.27,-20.98,;.27,-22.52,;-1.05,-20.22,;-2.39,-20.98,;-2.39,-22.52,;-3.72,-20.22,;-5.06,-20.98,;-3.72,-18.68,;-5.06,-17.9,;-2.39,-17.9,;21.61,-20.98,;21.61,-22.52,;22.95,-20.22,;24.28,-20.98,;24.28,-22.52,;25.62,-23.3,;25.62,-24.84,;26.95,-22.52,;25.62,-20.22,;25.62,-18.68,;26.95,-20.98,;28.29,-20.22,;28.29,-18.68,;29.62,-20.98,;29.62,-22.52,;30.96,-20.22,;32.29,-20.98,;33.62,-20.22,;33.62,-18.68,;34.96,-20.98,;36.29,-20.22,;36.29,-18.68,;37.63,-17.9,;37.63,-16.36,;38.96,-15.6,;38.96,-14.05,;40.29,-13.28,;37.63,-13.28,;37.63,-20.98,;37.63,-22.52,;38.96,-20.22,;40.29,-20.98,;40.29,-22.52,;41.62,-23.3,;43.12,-22.9,;43.96,-24.18,;42.98,-25.38,;43.23,-26.89,;42.04,-27.86,;40.59,-27.3,;40.36,-25.78,;41.55,-24.82,;41.62,-20.22,;42.96,-20.98,;41.63,-18.67,)| Show InChI InChI=1S/C71H107N17O14/c1-12-40(8)59(70(102)87-52(29-37(2)3)64(96)79-41(9)61(93)78-36-57(91)81-50(23-18-28-76-71(74)75)63(95)82-51(60(73)92)34-46-35-77-49-22-17-16-21-48(46)49)88-68(100)54(31-39(6)7)85-65(97)53(30-38(4)5)84-67(99)56(32-44-19-14-13-15-20-44)86-66(98)55(33-45-24-26-47(90)27-25-45)83-62(94)42(10)80-69(101)58(72)43(11)89/h13-17,19-22,24-27,35,37-43,50-56,58-59,77,89-90H,12,18,23,28-34,36,72H2,1-11H3,(H2,73,92)(H,78,93)(H,79,96)(H,80,101)(H,81,91)(H,82,95)(H,83,94)(H,84,99)(H,85,97)(H,86,98)(H,87,102)(H,88,100)(H4,74,75,76)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of the Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 integrase strand transfer activity |
J Med Chem 49: 4477-86 (2006)
Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ |
More data for this
Ligand-Target Pair | |
Human immunodeficiency virus type 1 integrase
(Human immunodeficiency virus 1) | BDBM50191253
(CHEMBL373670 | TAYFLLILAGRW-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:4.4,35.45,68.70,54.57,16.20,77.78,52.54,wD:24.32,2.2,60.61,47.49,88.89,8.12,(18.96,-16.38,;18.96,-17.91,;20.29,-18.68,;21.61,-17.9,;20.29,-20.22,;18.95,-20.98,;17.62,-20.22,;17.62,-18.68,;16.28,-20.98,;16.28,-22.52,;17.62,-23.3,;17.62,-24.84,;18.95,-22.52,;14.95,-20.22,;13.61,-20.98,;13.61,-22.52,;12.28,-20.22,;12.28,-18.68,;13.61,-17.9,;14.95,-18.68,;13.61,-16.36,;10.94,-20.98,;9.62,-20.22,;9.62,-18.68,;8.28,-20.98,;8.28,-22.52,;9.62,-23.3,;9.61,-24.84,;10.94,-25.6,;12.28,-24.84,;12.27,-23.29,;10.94,-22.52,;6.95,-20.22,;5.61,-20.98,;5.61,-22.52,;4.28,-20.22,;4.28,-18.68,;5.61,-17.9,;6.95,-18.68,;8.28,-17.91,;8.28,-16.37,;9.61,-15.6,;6.94,-15.6,;5.61,-16.37,;2.94,-20.98,;1.61,-20.22,;1.61,-18.68,;.27,-20.98,;.27,-22.52,;-1.05,-20.22,;-2.39,-20.98,;-2.39,-22.52,;-3.72,-20.22,;-5.06,-20.98,;-3.72,-18.68,;-5.06,-17.9,;-2.39,-17.9,;21.61,-20.98,;21.61,-22.52,;22.95,-20.22,;24.28,-20.98,;24.28,-22.52,;25.62,-23.3,;25.62,-24.84,;26.95,-22.52,;25.62,-20.22,;25.62,-18.68,;26.95,-20.98,;28.29,-20.22,;28.29,-18.68,;29.62,-20.98,;29.62,-22.52,;30.96,-20.22,;32.29,-20.98,;33.62,-20.22,;33.62,-18.68,;34.96,-20.98,;36.29,-20.22,;36.29,-18.68,;37.63,-17.9,;37.63,-16.36,;38.96,-15.6,;38.96,-14.05,;40.29,-13.28,;37.63,-13.28,;37.63,-20.98,;37.63,-22.52,;38.96,-20.22,;40.29,-20.98,;40.29,-22.52,;41.62,-23.3,;43.12,-22.9,;43.96,-24.18,;42.98,-25.38,;43.23,-26.89,;42.04,-27.86,;40.59,-27.3,;40.36,-25.78,;41.55,-24.82,;41.62,-20.22,;42.96,-20.98,;41.63,-18.67,)| Show InChI InChI=1S/C71H107N17O14/c1-12-40(8)59(70(102)87-52(29-37(2)3)64(96)79-41(9)61(93)78-36-57(91)81-50(23-18-28-76-71(74)75)63(95)82-51(60(73)92)34-46-35-77-49-22-17-16-21-48(46)49)88-68(100)54(31-39(6)7)85-65(97)53(30-38(4)5)84-67(99)56(32-44-19-14-13-15-20-44)86-66(98)55(33-45-24-26-47(90)27-25-45)83-62(94)42(10)80-69(101)58(72)43(11)89/h13-17,19-22,24-27,35,37-43,50-56,58-59,77,89-90H,12,18,23,28-34,36,72H2,1-11H3,(H2,73,92)(H,78,93)(H,79,96)(H,80,101)(H,81,91)(H,82,95)(H,83,94)(H,84,99)(H,85,97)(H,86,98)(H,87,102)(H,88,100)(H4,74,75,76)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of the Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 integrase 3' processing activity |
J Med Chem 49: 4477-86 (2006)
Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ |
More data for this
Ligand-Target Pair | |
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