Found 207 hits with Last Name = 'delabarre' and Initial = 'b' 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 |
|---|
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576017
(CHEMBL4552959)Show SMILES CCOC(=O)c1nnc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc3ncccc3c2)-c2ccccc2)-c2ccccc2)o1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576014
(CHEMBL4521249)Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)C1=CCCCC1 |t:38| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576013
(CHEMBL4558617)Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:35| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576011
(CHEMBL4514699)Show SMILES Oc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576019
(CHEMBL4568226)Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576015
(CHEMBL4582312)Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575996
(CHEMBL4870597)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2OCOc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576018
(CHEMBL4585665)Show SMILES COc1ccc(cc1)-c1c(Nc2ccon2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:35| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576016
(CHEMBL4584451)Show SMILES CCOC(=O)n1ccc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc(OC)cc2)-c2ccccc2)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576012
(CHEMBL4559088)Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576021
(CHEMBL4573938)Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576002
(CHEMBL4590059)Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)C1=CCCCC1 |t:32| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576020
(CHEMBL4529030)Show SMILES COc1ccc(cc1)-c1c(Nc2cnccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM228659
((+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophe...)Show SMILES Cc1ccccc1[C@@H](N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys... |
J Biol Chem 289: 13717-25 (2014)
Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576000
(CHEMBL4587880)Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575997
(CHEMBL4549681)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]cnc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575999
(CHEMBL4483464)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575995
(CHEMBL4560666)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM228658
(rac-ML309)Show SMILES Cc1ccccc1C(N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys... |
J Biol Chem 289: 13717-25 (2014)
Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576001
(CHEMBL4561247)Show SMILES Cc1[nH]c2c(C3CCCCC3)c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM228659
((+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophe...)Show SMILES Cc1ccccc1[C@@H](N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys... |
J Biol Chem 289: 13717-25 (2014)
Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575998
(CHEMBL4582351)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]c(N)nc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM228658
(rac-ML309)Show SMILES Cc1ccccc1C(N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys... |
J Biol Chem 289: 13717-25 (2014)
Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576004
(CHEMBL4552037)Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628721
(US20230339890, Compound 1) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628724
(US20230339890, Compound 76)Show SMILES CC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(nc2)C(F)(F)F)CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628725
(US20230339890, Compound 100)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)c(Cl)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628729
(US20230339890, Compound 124)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(nc1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628730
(US20230339890, Compound 2) | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628731
(US20230339890, Compound 27)Show SMILES CC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628733
(US20230339890, Compound 77)Show SMILES O[C@H](CN(C1CCC1)C(=O)Cc1ccc(C#N)c(Cl)c1)c1cccnc1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628735
(US20230339890, Compound 125)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(cn1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628755
(US20230339890, Compound 128)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cnc(cc2C1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628756
(Preparation of 2-(3,4-Dichlorophenyl)-N-[(2R)-2-Hy...)Show SMILES CCCN(C[C@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628757
(US20230339890, Compound 31) | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628761
(US20230339890, Compound 105)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628763
(Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethy...)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc2ccccc2c1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628770
(US20230339890, Compound 130)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(nc1)C(C)(C)C | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628771
(US20230339890, Compound 8)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628775
(US20230339890, Compound 107)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628776
(US20230339890, Compound 131)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(Cl)c(Br)cc2C1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628788
(US20230339890, Compound 109)Show SMILES CCCN(CC(O)c1cnccc1OC)C(=O)Cc1ccc(Cl)c(Cl)c1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628792
(US20230339890, Compound 11)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(Cl)c(Cl)cc2C1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628797
(US20230339890, Compound 134)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(Cl)c(cc2C1)C#N | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628803
(US20230339890, Compound 135)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)N1Cc2cc(Cl)c(Br)cc2C1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628780
(US20230339890, Compound 84 | US20230339890, Compou...)Show SMILES Cc1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628809
(US20230339890, Compound 136)Show SMILES CCCN(CC(O)c1cnccc1N)C(=O)C(C)c1ccc(nc1)C(F)(F)F | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628812
(US20230339890, Compound 64)Show SMILES O[C@H](CN(Cc1ccccc1)C(=O)Cc1ccc(nc1)C(F)(F)F)c1cccnc1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628815
(US20230339890, Compound 137)Show SMILES CC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)CC(O)c1cccnc1 | PDB
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Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628820
(US20230339890, Compound 90 | US20230339890, Compou...)Show SMILES CC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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