Found 3 hits with Last Name = 'gyemant' and Initial = 'n' 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 |
|---|
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50410914
(CHEMBL209247)Show SMILES COc1ccc(CCN(C)CC#CCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC |TLB:21:20:32.27:18.17,31:32:25.20:18.17,THB:15:17:25.20:32.27,24:25:32.27:18.17,33:18:25.20:32.27,(8.03,6.81,;6.77,6.47,;6.43,5.21,;5.17,4.87,;4.84,3.61,;5.76,2.7,;5.42,1.44,;4.16,1.11,;3.82,-.15,;4.74,-1.08,;2.56,-.49,;1.64,.44,;.72,1.36,;-.2,2.3,;-1.48,1.98,;-1.97,.75,;-.7,1.1,;-3.28,.84,;-3.61,2.11,;-3.92,.32,;-5.63,-.17,;-6.97,.59,;-8.3,-.18,;-8.3,-1.73,;-6.96,-2.5,;-5.61,-1.72,;-3.83,-1.22,;-2.42,-2.11,;-1.01,-2.8,;.29,-1.93,;.18,-.36,;-1.22,.33,;-2.52,-.54,;-2.49,2.82,;-2.41,4.13,;7.02,3.03,;7.36,4.29,;8.61,4.62,;9.53,3.7,)| Show InChI InChI=1S/C33H32N2O4/c1-34(19-16-21-14-15-26(38-2)27(20-21)39-3)17-8-9-18-35-32(36)30-28-22-10-4-5-11-23(22)29(31(30)33(35)37)25-13-7-6-12-24(25)28/h4-7,10-15,20,28-31H,16-19H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line |
J Med Chem 49: 3049-51 (2006)
Article DOI: 10.1021/jm060056p
BindingDB Entry DOI: 10.7270/Q2CC11W8 |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50410913
(CHEMBL209128)Show SMILES COc1ccc(CCN(C)CCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC |TLB:19:18:30.25:16.15,29:30:23.18:16.15,THB:13:15:23.18:30.25,22:23:30.25:16.15,31:16:23.18:30.25,(8.02,-24.19,;8.37,-22.92,;7.45,-21.98,;6.17,-22.31,;5.26,-21.37,;5.62,-20.11,;4.7,-19.17,;3.42,-19.49,;2.5,-18.55,;2.86,-17.28,;1.23,-18.88,;.31,-17.93,;-.96,-18.26,;-1.45,-19.48,;-.19,-19.14,;-2.76,-19.4,;-3.09,-18.12,;-3.4,-19.91,;-5.11,-20.41,;-6.44,-19.64,;-7.77,-20.41,;-7.77,-21.96,;-6.44,-22.73,;-5.09,-21.95,;-3.31,-21.45,;-1.9,-22.34,;-.5,-23.03,;.81,-22.16,;.7,-20.59,;-.71,-19.9,;-2.01,-20.77,;-1.98,-17.42,;-1.89,-16.11,;6.88,-19.77,;7.8,-20.71,;9.08,-20.38,;10.01,-21.32,)| Show InChI InChI=1S/C31H32N2O4/c1-32(15-14-19-12-13-24(36-2)25(18-19)37-3)16-17-33-30(34)28-26-20-8-4-5-9-21(20)27(29(28)31(33)35)23-11-7-6-10-22(23)26/h4-13,18,26-29H,14-17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line |
J Med Chem 49: 3049-51 (2006)
Article DOI: 10.1021/jm060056p
BindingDB Entry DOI: 10.7270/Q2CC11W8 |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50410915
(CHEMBL209166)Show SMILES COc1ccc(CCN(C)CCCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC |TLB:20:19:31.26:17.16,30:31:24.19:17.16,THB:14:16:24.19:31.26,23:24:31.26:17.16,32:17:24.19:31.26,(10.78,-9.66,;9.85,-8.72,;8.58,-9.05,;7.65,-8.11,;6.38,-8.44,;6.03,-9.7,;4.76,-10.03,;3.84,-9.08,;2.56,-9.41,;2.21,-10.68,;1.64,-8.47,;.37,-8.79,;-.55,-7.85,;-1.83,-8.18,;-2.32,-9.4,;-1.05,-9.05,;-3.63,-9.32,;-3.96,-8.04,;-4.27,-9.83,;-5.97,-10.32,;-7.31,-9.56,;-8.64,-10.33,;-8.65,-11.88,;-7.31,-12.65,;-5.96,-11.87,;-4.18,-11.37,;-2.77,-12.26,;-1.36,-12.95,;-.06,-12.08,;-.17,-10.51,;-1.57,-9.82,;-2.87,-10.69,;-2.84,-7.34,;-2.76,-6.02,;6.95,-10.64,;8.22,-10.32,;9.14,-11.26,;10.41,-10.93,)| Show InChI InChI=1S/C32H34N2O4/c1-33(18-15-20-13-14-25(37-2)26(19-20)38-3)16-8-17-34-31(35)29-27-21-9-4-5-10-22(21)28(30(29)32(34)36)24-12-7-6-11-23(24)27/h4-7,9-14,19,27-30H,8,15-18H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line |
J Med Chem 49: 3049-51 (2006)
Article DOI: 10.1021/jm060056p
BindingDB Entry DOI: 10.7270/Q2CC11W8 |
More data for this
Ligand-Target Pair | |
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