BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'hong' and Initial = 'hs'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237486
PNG
(CHEMBL4077433)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCNCC1
Show InChI InChI=1S/C21H32N6O2S/c1-17-15-23-16-27(17)9-3-6-24-21(30)25-18-4-5-19(20(14-18)28-2)29-13-12-26-10-7-22-8-11-26/h4-5,14-16,22H,3,6-13H2,1-2H3,(H2,24,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237489
PNG
(CHEMBL4070663)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN(C)C
Show InChI InChI=1S/C21H33N5O2S/c1-17-15-22-16-26(17)12-7-10-23-21(29)24-18-8-9-19(20(14-18)27-4)28-13-6-5-11-25(2)3/h8-9,14-16H,5-7,10-13H2,1-4H3,(H2,23,24,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237457
PNG
(CHEMBL4097599)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1
Show InChI InChI=1S/C24H32N6O2S/c1-18-16-26-17-30(18)12-5-10-28-24(33)29-20-7-8-21(22(15-20)31-2)32-13-4-3-6-19-9-11-27-23(25)14-19/h7-9,11,14-17H,3-6,10,12-13H2,1-2H3,(H2,25,27)(H2,28,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237478
PNG
(CHEMBL4093071)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC1CCN(C)CC1
Show InChI InChI=1S/C23H35N5O2S/c1-18-16-24-17-28(18)11-4-10-25-23(31)26-20-5-6-21(22(15-20)29-3)30-14-9-19-7-12-27(2)13-8-19/h5-6,15-17,19H,4,7-14H2,1-3H3,(H2,25,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237476
PNG
(CHEMBL4099813)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCNCC1
Show InChI InChI=1S/C23H36N6O2S/c1-19-17-25-18-29(19)12-5-8-26-23(32)27-20-6-7-21(22(16-20)30-2)31-15-4-3-11-28-13-9-24-10-14-28/h6-7,16-18,24H,3-5,8-15H2,1-2H3,(H2,26,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237467
PNG
(CHEMBL4082916)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN
Show InChI InChI=1S/C18H27N5O2S/c1-14-12-20-13-23(14)9-4-8-21-18(26)22-15-5-6-16(17(11-15)24-2)25-10-3-7-19/h5-6,11-13H,3-4,7-10,19H2,1-2H3,(H2,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237456
PNG
(CHEMBL4074799)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccnc(N)c1
Show InChI InChI=1S/C22H28N6O2S/c1-16-14-24-15-28(16)10-3-8-26-22(31)27-18-4-5-19(20(13-18)29-2)30-11-7-17-6-9-25-21(23)12-17/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H2,23,25)(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237474
PNG
(CHEMBL4075925)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCNc1ncccn1
Show InChI InChI=1S/C23H31N7O2S/c1-18-16-24-17-30(18)13-6-12-28-23(33)29-19-7-8-20(21(15-19)31-2)32-14-4-3-9-25-22-26-10-5-11-27-22/h5,7-8,10-11,15-17H,3-4,6,9,12-14H2,1-2H3,(H,25,26,27)(H2,28,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237484
PNG
(CHEMBL4088456)
Show SMILES CNCCCOc1ccc(NC(=S)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C19H29N5O2S/c1-15-13-21-14-24(15)10-4-9-22-19(27)23-16-6-7-17(18(12-16)25-3)26-11-5-8-20-2/h6-7,12-14,20H,4-5,8-11H2,1-3H3,(H2,22,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.90n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237447
PNG
(CHEMBL4073599)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCC1CCNCC1
Show InChI InChI=1S/C23H35N5O2S/c1-18-16-25-17-28(18)13-4-10-26-23(31)27-20-6-7-21(22(15-20)29-2)30-14-3-5-19-8-11-24-12-9-19/h6-7,15-17,19,24H,3-5,8-14H2,1-2H3,(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237444
PNG
(CHEMBL4071297)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCN(C)CC1
Show InChI InChI=1S/C22H34N6O2S/c1-18-16-23-17-28(18)8-4-7-24-22(31)25-19-5-6-20(21(15-19)29-3)30-14-13-27-11-9-26(2)10-12-27/h5-6,15-17H,4,7-14H2,1-3H3,(H2,24,25,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237451
PNG
(CHEMBL4099260)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccc(N)cc1
Show InChI InChI=1S/C23H29N5O2S/c1-17-15-25-16-28(17)12-3-11-26-23(31)27-20-8-9-21(22(14-20)29-2)30-13-10-18-4-6-19(24)7-5-18/h4-9,14-16H,3,10-13,24H2,1-2H3,(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237448
PNG
(CHEMBL4082802)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCC1CCNCC1
Show InChI InChI=1S/C24H37N5O2S/c1-19-17-26-18-29(19)14-5-11-27-24(32)28-21-7-8-22(23(16-21)30-2)31-15-4-3-6-20-9-12-25-13-10-20/h7-8,16-18,20,25H,3-6,9-15H2,1-2H3,(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237477
PNG
(CHEMBL4062645)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCN(C)CC1
Show InChI InChI=1S/C24H38N6O2S/c1-20-18-25-19-30(20)11-6-9-26-24(33)27-21-7-8-22(23(17-21)31-3)32-16-5-4-10-29-14-12-28(2)13-15-29/h7-8,17-19H,4-6,9-16H2,1-3H3,(H2,26,27,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237452
PNG
(CHEMBL4084521)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccc(N)cc1
Show InChI InChI=1S/C25H33N5O2S/c1-19-17-27-18-30(19)14-5-13-28-25(33)29-22-11-12-23(24(16-22)31-2)32-15-4-3-6-20-7-9-21(26)10-8-20/h7-12,16-18H,3-6,13-15,26H2,1-2H3,(H2,28,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237479
PNG
(CHEMBL4062842)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1ccc(N)cc1
Show InChI InChI=1S/C24H31N5O2S/c1-18-16-26-17-29(18)13-4-12-27-24(32)28-21-10-11-22(23(15-21)30-2)31-14-3-5-19-6-8-20(25)9-7-19/h6-11,15-17H,3-5,12-14,25H2,1-2H3,(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237454
PNG
(CHEMBL4093243)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccncc1
Show InChI InChI=1S/C24H31N5O2S/c1-19-17-26-18-29(19)14-5-11-27-24(32)28-21-7-8-22(23(16-21)30-2)31-15-4-3-6-20-9-12-25-13-10-20/h7-10,12-13,16-18H,3-6,11,14-15H2,1-2H3,(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237468
PNG
(CHEMBL4100758)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCOCC1
Show InChI InChI=1S/C23H35N5O3S/c1-19-17-24-18-28(19)10-5-8-25-23(32)26-20-6-7-21(22(16-20)29-2)31-13-4-3-9-27-11-14-30-15-12-27/h6-7,16-18H,3-5,8-15H2,1-2H3,(H2,25,26,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237443
PNG
(CHEMBL4081803)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN1CCNCC1
Show InChI InChI=1S/C22H34N6O2S/c1-18-16-24-17-28(18)11-3-7-25-22(31)26-19-5-6-20(21(15-19)29-2)30-14-4-10-27-12-8-23-9-13-27/h5-6,15-17,23H,3-4,7-14H2,1-2H3,(H2,25,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237481
PNG
(CHEMBL4074222)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1ccnc(N)c1
Show InChI InChI=1S/C23H30N6O2S/c1-17-15-25-16-29(17)11-4-9-27-23(32)28-19-6-7-20(21(14-19)30-2)31-12-3-5-18-8-10-26-22(24)13-18/h6-8,10,13-16H,3-5,9,11-12H2,1-2H3,(H2,24,26)(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237450
PNG
(CHEMBL4102431)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCC1CCN(C)CC1
Show InChI InChI=1S/C25H39N5O2S/c1-20-18-26-19-30(20)13-6-12-27-25(33)28-22-8-9-23(24(17-22)31-3)32-16-5-4-7-21-10-14-29(2)15-11-21/h8-9,17-19,21H,4-7,10-16H2,1-3H3,(H2,27,28,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237445
PNG
(CHEMBL4098332)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C23H36N6O2S/c1-19-17-24-18-29(19)10-4-8-25-23(32)26-20-6-7-21(22(16-20)30-3)31-15-5-9-28-13-11-27(2)12-14-28/h6-7,16-18H,4-5,8-15H2,1-3H3,(H2,25,26,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity at human progesterone receptor in CV-1 cells.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237471
PNG
(CHEMBL4063751)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN1CCCCC1
Show InChI InChI=1S/C23H35N5O2S/c1-19-17-24-18-28(19)14-6-10-25-23(31)26-20-8-9-21(22(16-20)29-2)30-15-7-13-27-11-4-3-5-12-27/h8-9,16-18H,3-7,10-15H2,1-2H3,(H2,25,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237441
PNG
(CHEMBL4097231)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN(C)C
Show InChI InChI=1S/C20H31N5O2S/c1-16-14-21-15-25(16)11-5-9-22-20(28)23-17-7-8-18(19(13-17)26-4)27-12-6-10-24(2)3/h7-8,13-15H,5-6,9-12H2,1-4H3,(H2,22,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237470
PNG
(CHEMBL4062616)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C21H31N5O3S/c1-17-15-22-16-26(17)7-3-6-23-21(30)24-18-4-5-19(20(14-18)27-2)29-13-10-25-8-11-28-12-9-25/h4-5,14-16H,3,6-13H2,1-2H3,(H2,23,24,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237487
PNG
(CHEMBL4090828)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCCCC1
Show InChI InChI=1S/C24H37N5O2S/c1-20-18-25-19-29(20)15-8-11-26-24(32)27-21-9-10-22(23(17-21)30-2)31-16-7-6-14-28-12-4-3-5-13-28/h9-10,17-19H,3-8,11-16H2,1-2H3,(H2,26,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Mus musculus (mouse))		BDBM50237457
PNG
(CHEMBL4097599)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1
Show InChI InChI=1S/C24H32N6O2S/c1-18-16-26-17-30(18)12-5-10-28-24(33)29-20-7-8-21(22(15-20)31-2)32-13-4-3-6-19-9-11-27-23(25)14-19/h7-9,11,14-17H,3-6,10,12-13H2,1-2H3,(H2,25,27)(H2,28,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity towards human progesterone in CV-1 cells

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237480
PNG
(CHEMBL4063693)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1ccncc1
Show InChI InChI=1S/C23H29N5O2S/c1-18-16-25-17-28(18)13-4-10-26-23(31)27-20-6-7-21(22(15-20)29-2)30-14-3-5-19-8-11-24-12-9-19/h6-9,11-12,15-17H,3-5,10,13-14H2,1-2H3,(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237466
PNG
(CHEMBL4100893)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN
Show InChI InChI=1S/C19H29N5O2S/c1-15-13-21-14-24(15)10-5-9-22-19(27)23-16-6-7-17(18(12-16)25-2)26-11-4-3-8-20/h6-7,12-14H,3-5,8-11,20H2,1-2H3,(H2,22,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237446
PNG
(CHEMBL4090608)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC1CCNCC1
Show InChI InChI=1S/C22H33N5O2S/c1-17-15-24-16-27(17)12-3-9-25-22(30)26-19-4-5-20(21(14-19)28-2)29-13-8-18-6-10-23-11-7-18/h4-5,14-16,18,23H,3,6-13H2,1-2H3,(H2,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237469
PNG
(CHEMBL4085595)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H33N5O3S/c1-18-16-23-17-27(18)9-3-7-24-22(31)25-19-5-6-20(21(15-19)28-2)30-12-4-8-26-10-13-29-14-11-26/h5-6,15-17H,3-4,7-14H2,1-2H3,(H2,24,25,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237482
PNG
(CHEMBL4093854)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1cc(N)nc(N)c1
Show InChI InChI=1S/C24H33N7O2S/c1-17-15-27-16-31(17)10-5-9-28-24(34)29-19-7-8-20(21(14-19)32-2)33-11-4-3-6-18-12-22(25)30-23(26)13-18/h7-8,12-16H,3-6,9-11H2,1-2H3,(H4,25,26,30)(H2,28,29,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237464
PNG
(CHEMBL4089521)
Show SMILES CNCCCCOc1ccc(NC(=S)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C20H31N5O2S/c1-16-14-22-15-25(16)11-6-10-23-20(28)24-17-7-8-18(19(13-17)26-3)27-12-5-4-9-21-2/h7-8,13-15,21H,4-6,9-12H2,1-3H3,(H2,23,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237459
PNG
(CHEMBL4066278)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1cc(N)nc(N)c1
Show InChI InChI=1S/C23H31N7O2S/c1-16-14-26-15-30(16)9-4-8-27-23(33)28-18-6-7-19(20(13-18)31-2)32-10-3-5-17-11-21(24)29-22(25)12-17/h6-7,11-15H,3-5,8-10H2,1-2H3,(H4,24,25,29)(H2,27,28,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237463
PNG
(CHEMBL4092890)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1cnc(N)nc1
Show InChI InChI=1S/C23H31N7O2S/c1-17-13-25-16-30(17)10-5-9-26-23(33)29-19-7-8-20(21(12-19)31-2)32-11-4-3-6-18-14-27-22(24)28-15-18/h7-8,12-16H,3-6,9-11H2,1-2H3,(H2,24,27,28)(H2,26,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237475
PNG
(CHEMBL4059704)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCNc1ncccn1
Show InChI InChI=1S/C22H29N7O2S/c1-17-15-23-16-29(17)12-4-10-27-22(32)28-18-6-7-19(20(14-18)30-2)31-13-5-11-26-21-24-8-3-9-25-21/h3,6-9,14-16H,4-5,10-13H2,1-2H3,(H,24,25,26)(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237473
PNG
(CHEMBL4076559)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCNc1ncc(F)cn1
Show InChI InChI=1S/C23H30FN7O2S/c1-17-13-25-16-31(17)10-5-9-27-23(34)30-19-6-7-20(21(12-19)32-2)33-11-4-3-8-26-22-28-14-18(24)15-29-22/h6-7,12-16H,3-5,8-11H2,1-2H3,(H,26,28,29)(H2,27,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237460
PNG
(CHEMBL4074894)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1cccc(N)n1
Show InChI InChI=1S/C24H32N6O2S/c1-18-16-26-17-30(18)13-6-12-27-24(33)29-20-10-11-21(22(15-20)31-2)32-14-4-3-7-19-8-5-9-23(25)28-19/h5,8-11,15-17H,3-4,6-7,12-14H2,1-2H3,(H2,25,28)(H2,27,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237488
PNG
(CHEMBL4086721)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCNc1ncc(F)cn1
Show InChI InChI=1S/C22H28FN7O2S/c1-16-12-24-15-30(16)9-3-7-26-22(33)29-18-5-6-19(20(11-18)31-2)32-10-4-8-25-21-27-13-17(23)14-28-21/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,25,27,28)(H2,26,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237458
PNG
(CHEMBL4070421)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C26H34N6O3S/c1-19-17-27-18-32(19)13-6-11-29-26(36)31-22-8-9-23(24(16-22)34-3)35-14-5-4-7-21-10-12-28-25(15-21)30-20(2)33/h8-10,12,15-18H,4-7,11,13-14H2,1-3H3,(H,28,30,33)(H2,29,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237449
PNG
(CHEMBL4077135)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCC1CCN(C)CC1
Show InChI InChI=1S/C24H37N5O2S/c1-19-17-25-18-29(19)12-5-11-26-24(32)27-21-7-8-22(23(16-21)30-3)31-15-4-6-20-9-13-28(2)14-10-20/h7-8,16-18,20H,4-6,9-15H2,1-3H3,(H2,26,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237455
PNG
(CHEMBL4065599)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1cccnc1
Show InChI InChI=1S/C24H31N5O2S/c1-19-16-26-18-29(19)13-6-12-27-24(32)28-21-9-10-22(23(15-21)30-2)31-14-4-3-7-20-8-5-11-25-17-20/h5,8-11,15-18H,3-4,6-7,12-14H2,1-2H3,(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity towards human progesterone in CV-1 cells

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237462
PNG
(CHEMBL4063517)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1cnc(N)nc1
Show InChI InChI=1S/C22H29N7O2S/c1-16-12-24-15-29(16)9-4-8-25-22(32)28-18-6-7-19(20(11-18)30-2)31-10-3-5-17-13-26-21(23)27-14-17/h6-7,11-15H,3-5,8-10H2,1-2H3,(H2,23,26,27)(H2,25,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237483
PNG
(CHEMBL4075609)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1cncnc1
Show InChI InChI=1S/C23H30N6O2S/c1-18-13-26-17-29(18)10-5-9-27-23(32)28-20-7-8-21(22(12-20)30-2)31-11-4-3-6-19-14-24-16-25-15-19/h7-8,12-17H,3-6,9-11H2,1-2H3,(H2,27,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Mus musculus (mouse))		BDBM50299853
PNG
(1-(3,4-Dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol...)
Show SMILES COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12-10-17-11-20(12)8-4-7-18-16(23)19-13-5-6-14(21-2)15(9-13)22-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,18,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of mouse glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237453
PNG
(CHEMBL4076975)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccncc1
Show InChI InChI=1S/C22H27N5O2S/c1-17-15-24-16-27(17)12-3-9-25-22(30)26-19-4-5-20(21(14-19)28-2)29-13-8-18-6-10-23-11-7-18/h4-7,10-11,14-16H,3,8-9,12-13H2,1-2H3,(H2,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237472
PNG
(CHEMBL4065376)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C22H33N5O2S/c1-18-16-23-17-27(18)12-6-9-24-22(30)25-19-7-8-20(21(15-19)28-2)29-14-13-26-10-4-3-5-11-26/h7-8,15-17H,3-6,9-14H2,1-2H3,(H2,24,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50299853
PNG
(1-(3,4-Dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol...)
Show SMILES COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12-10-17-11-20(12)8-4-7-18-16(23)19-13-5-6-14(21-2)15(9-13)22-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,18,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237485
PNG
(CHEMBL4093175)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN
Show InChI InChI=1S/C17H25N5O2S/c1-13-11-19-12-22(13)8-3-7-20-17(25)21-14-4-5-15(24-9-6-18)16(10-14)23-2/h4-5,10-12H,3,6-9,18H2,1-2H3,(H2,20,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM50237461
PNG
(CHEMBL4101582)
Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1cncnc1
Show InChI InChI=1S/C22H28N6O2S/c1-17-12-25-16-28(17)9-4-8-26-22(31)27-19-6-7-20(21(11-19)29-2)30-10-3-5-18-13-23-15-24-14-18/h6-7,11-16H,3-5,8-10H2,1-2H3,(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...

J Med Chem 60: 2573-2590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00098
BindingDB Entry DOI: 10.7270/Q23X88X9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 66 total )  |  Next  |  Last  >>
Jump to: