Found 197 hits with Last Name = 'kohchi' and Initial = 'y' 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 |
|---|
Chitin synthase 1
(Candida albicans) | BDBM50089536
(5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...)Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22) | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089557
(5-[Butyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino...)Show InChI InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089551
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-propyl-amin...)Show InChI InChI=1S/C21H28N2O/c1-5-15-23(16-8-6-7-14-21(2,3)4)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11H,5,12-13,15-16H2,1-4H3,(H,22,24)/b8-6+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593050
(CHEMBL5174525)Show SMILES CCc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593047
(CHEMBL5172448)Show SMILES CC(C)(C)NC(=O)c1ccnc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089540
(CHEMBL32125 | Phosphoric acid 5-[(6,6-dimethyl-hep...)Show SMILES CCOP(=O)(OCC)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C23H31N2O5P/c1-7-28-31(27,29-8-2)30-21-17-18-19(24-22(21)26)13-12-14-20(18)25(6)16-11-9-10-15-23(3,4)5/h12-14,21H,7-8,16-17H2,1-6H3,(H,24,26) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089563
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino...)Show InChI InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089538
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...)Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089559
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-isopropyl-a...)Show SMILES CC(C)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-16(2)23(15-8-6-7-14-21(3,4)5)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11,16H,12-13,15H2,1-5H3,(H,22,24)/b8-6+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593051
(CHEMBL5171942)Show SMILES CCCc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525707
(CHEMBL4457566)Show SMILES Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593035
(CHEMBL5183149)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(ccn1)C(=O)NC1CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593043
(CHEMBL5189763)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CCNC(=O)C1)C#Cc1cc(OCC2CC2)ccn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593031
(CHEMBL5191460)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCCC2CC2)ccn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593029
(CHEMBL5195158)Show SMILES CC1(COc2ccnc(c2)C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(OCCN3CCOCC3)ccc2C4=O)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50525707
(CHEMBL4457566)Show SMILES Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50222709
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593039
(CHEMBL5199099)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCNC(=O)C3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593045
(CHEMBL5205778)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(OCC(F)(F)F)ccn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593053
(CHEMBL5198357)Show SMILES CC(C)(C)NC(=O)c1cc(Cl)nc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593046
(CHEMBL5199353)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(ccn1)C(=O)NC1CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593052
(CHEMBL5178903)Show SMILES CC(C)(C)NC(=O)c1cc(nc(c1)C(F)(F)F)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593030
(CHEMBL5193231)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CCC2)ccn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50525707
(CHEMBL4457566)Show SMILES Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089543
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...)Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593037
(CHEMBL5171199)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
MMDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593054
(CHEMBL5173139)Show SMILES CC(C)(C)NC(=O)c1cc(nc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C#N | PDB
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UniChem
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593042
(CHEMBL5169941)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CC2(COC2)C1)C#Cc1cc(OCC2CC2)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089547
(5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...)Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10,17,22H,12-13H2,1-4H3,(H,20,23) | UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593033
(CHEMBL5173016)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2(CO)CC2)ccn1 | PDB
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UniChem
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593032
(CHEMBL5171966)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC(F)(F)F)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593041
(CHEMBL5198427)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CCOCC1)C#Cc1cc(OCC2CC2)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593048
(CHEMBL5174514)Show SMILES Cc1cnc(cc1C(=O)NC(C)(C)C)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593049
(CHEMBL5203355)Show SMILES Cc1c(ccnc1C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593044
(CHEMBL5199002)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593038
(CHEMBL5197535)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CC4(COC4)C3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593027
(CHEMBL5186340)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB
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| PDB
US Patent
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50593027
(CHEMBL5186340)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104959
(US8575391, G-2)Show SMILES OCCONC(=O)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H17F3IN3O5/c20-13-8-11(23)1-2-14(13)24-18-12(19(29)25-30-6-4-27)7-10(16(21)17(18)22)9-26-15(28)3-5-31-26/h1-2,7-8,24,27H,3-6,9H2,(H,25,29) | PDB
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| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089537
(5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...)Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26) | UniProtKB/SwissProt
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| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089560
(5-(Hepta-2,4-diynyl-methyl-amino)-3,4-dihydro-1H-q...)Show InChI InChI=1S/C17H18N2O/c1-3-4-5-6-7-13-19(2)16-10-8-9-15-14(16)11-12-17(20)18-15/h8-10H,3,11-13H2,1-2H3,(H,18,20) | UniProtKB/SwissProt
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50593027
(CHEMBL5186340)Show SMILES CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1 | PDB
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| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104951
(US8575391, F-2)Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(C)=O Show InChI InChI=1S/C19H19F3IN3O5/c1-10(28)26(30-2)9-11-7-13(19(29)25-31-6-5-27)18(17(22)16(11)21)24-15-4-3-12(23)8-14(15)20/h3-4,7-8,24,27H,5-6,9H2,1-2H3,(H,25,29) | PDB
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Reactome pathway
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| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50338038
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30) | PDB
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| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Chitin synthase 1
(Candida albicans) | BDBM50089550
(5-[(6,6-Dimethyl-hept-4-ynyl)-methyl-amino]-3,4-di...)Show InChI InChI=1S/C19H26N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,5,7,11-12,14H2,1-4H3,(H,20,22) | UniProtKB/SwissProt
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104949
(US8575391, C-31)Show SMILES CS(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H21F3IN3O5S/c1-32(29)7-6-30-24-10-11-8-13(19(28)26-31-5-4-27)18(17(22)16(11)21)25-15-3-2-12(23)9-14(15)20/h2-3,8-9,24-25,27H,4-7,10H2,1H3,(H,26,28) | PDB
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Reactome pathway
KEGG
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| PC cid
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| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Seiyaku Kabushiki Kaisha
US Patent
| Assay Description
Inhibition assay using MEK kinase. |
US Patent US8575391 (2013)
BindingDB Entry DOI: 10.7270/Q22B8WPF |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089562
(3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-...)Show InChI InChI=1S/C19H23N3O/c1-19(2,3)11-6-5-7-12-22(4)17-10-8-9-16-14(17)13-15(20)18(23)21-16/h8-10,15H,12-13,20H2,1-4H3,(H,21,23) | UniProtKB/SwissProt
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
Chitin synthase 1
(Candida albicans) | BDBM50089561
(5-[((Z)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...)Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5- | UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory of Candida albicans chitin synthase 1 |
Bioorg Med Chem Lett 10: 1459-62 (2000)
BindingDB Entry DOI: 10.7270/Q2R210MK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50593040
(CHEMBL5189733)Show SMILES CC1(C)NC(=O)N(CCOc2ccc3C(=O)c4c(oc5cc(ccc45)C#Cc4cc(OCC5CC5)ccn4)C(C)(C)c3c2)C1=O | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01099
BindingDB Entry DOI: 10.7270/Q2FB56Z1 |
More data for this
Ligand-Target Pair | |
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