Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50478738' 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 |
|---|
Integrase
(Human immunodeficiency virus 1) | BDBM50478738
(CHEMBL507121)Show SMILES [H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C53H38Cl6N6O13/c1-65-37(53(76)77)9-20-5-7-26(8-6-20)78-38-18-21-10-29(44(38)67)28-4-2-3-27-25(19-60-42(27)28)17-36(61-51(74)43(66)24-15-34(58)47(70)35(59)16-24)48(71)62-40(22-11-30(54)45(68)31(55)12-22)49(72)63-39(21)50(73)64-41(52(65)75)23-13-32(56)46(69)33(57)14-23/h2-8,10-16,18-19,36-37,39-41,60,67-70H,9,17H2,1H3,(H,61,74)(H,62,71)(H,63,72)(H,64,73)(H,76,77)/t36-,37+,39-,40-,41-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity |
J Nat Prod 64: 874-82 (2001)
Article DOI: 10.1021/np000632z
BindingDB Entry DOI: 10.7270/Q22N552N |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478738
(CHEMBL507121)Show SMILES [H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C53H38Cl6N6O13/c1-65-37(53(76)77)9-20-5-7-26(8-6-20)78-38-18-21-10-29(44(38)67)28-4-2-3-27-25(19-60-42(27)28)17-36(61-51(74)43(66)24-15-34(58)47(70)35(59)16-24)48(71)62-40(22-11-30(54)45(68)31(55)12-22)49(72)63-39(21)50(73)64-41(52(65)75)23-13-32(56)46(69)33(57)14-23/h2-8,10-16,18-19,36-37,39-41,60,67-70H,9,17H2,1H3,(H,61,74)(H,62,71)(H,63,72)(H,64,73)(H,76,77)/t36-,37+,39-,40-,41-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 integrase strand transfer activity |
J Nat Prod 64: 874-82 (2001)
Article DOI: 10.1021/np000632z
BindingDB Entry DOI: 10.7270/Q22N552N |
More data for this
Ligand-Target Pair | |
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