BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'hudcosky' and Initial = 'rj'   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406451
PNG
(CHEMBL104754)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)c(F)c1
Show InChI InChI=1S/C10H14FNO3S2/c11-9-7-8(17(12,14)15)3-4-10(9)16-6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406425
PNG
(CHEMBL104621)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C8H13NO5S3/c9-17(13,14)8-4-3-7(15-8)16(11,12)6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406446
PNG
(CHEMBL107437)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)s1
Show InChI InChI=1S/C8H13NO3S3/c9-15(11,12)8-4-3-7(14-8)13-6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406461
PNG
(CHEMBL322223)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(F)c1
Show InChI InChI=1S/C9H12FNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406457
PNG
(CHEMBL319397)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H14FNO5S2/c11-9-7-8(19(12,16)17)3-4-10(9)18(14,15)6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406442
PNG
(CHEMBL319239)
Show SMILES NS(=O)(=O)c1ccc(SCCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S2/c12-17(14,15)11-6-4-10(5-7-11)16-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406459
PNG
(CHEMBL104868)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H12FNO5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406441
PNG
(CHEMBL320808)
Show SMILES COCC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406431
PNG
(CHEMBL104929)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCO
Show InChI InChI=1S/C8H10FNO5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4H2,(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406448
PNG
(CHEMBL104666)
Show SMILES CC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO6S3/c1-7(11)16-5-2-6-18(12,13)8-3-4-9(17-8)19(10,14)15/h3-4H,2,5-6H2,1H3,(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406429
PNG
(CHEMBL104442)
Show SMILES CC(=O)OCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406440
PNG
(CHEMBL104463)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCO
Show InChI InChI=1S/C6H9NO5S3/c7-15(11,12)6-2-1-5(13-6)14(9,10)4-3-8/h1-2,8H,3-4H2,(H2,7,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406449
PNG
(CHEMBL105725)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCO
Show InChI InChI=1S/C7H11NO5S3/c8-16(12,13)7-3-2-6(14-7)15(10,11)5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406428
PNG
(CHEMBL105731)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406445
PNG
(CHEMBL105637)
Show SMILES NS(=O)(=O)c1ccc(CCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3148
PNG
(2-pyridinone deriv. 54 | 5-ethyl-3-{[(2-methoxy-5,...)
Show SMILES CCc1cc(NCc2cc(C)c(C)nc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C17H23N3O2/c1-6-13-8-15(16(21)19-12(13)4)18-9-14-7-10(2)11(3)20-17(14)22-5/h7-8,18H,6,9H2,1-5H3,(H,19,21)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406460
PNG
(CHEMBL105607)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1
Show InChI InChI=1S/C9H12ClNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406456
PNG
(CHEMBL107537)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)cc1
Show InChI InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406447
PNG
(CHEMBL107266)
Show SMILES NS(=O)(=O)c1ccc(SCCO)c(F)c1
Show InChI InChI=1S/C8H10FNO3S2/c9-7-5-6(15(10,12)13)1-2-8(7)14-4-3-11/h1-2,5,11H,3-4H2,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406430
PNG
(CHEMBL106683)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)s1
Show InChI InChI=1S/C7H11NO3S3/c8-14(10,11)7-3-2-6(13-7)12-5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406434
PNG
(CHEMBL104000)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H13NO5S2/c10-17(14,15)9-4-2-8(3-5-9)16(12,13)7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50017727
PNG
((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406458
PNG
(CHEMBL316582)
Show SMILES NS(=O)(=O)c1ccc(CCCCO)cc1
Show InChI InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406436
PNG
(CHEMBL104630)
Show SMILES CC(C)CNCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406427
PNG
(CHEMBL321889)
Show SMILES CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO3S2/c1-11(2,13)7-8-16-9-3-5-10(6-4-9)17(12,14)15/h3-6,13H,7-8H2,1-2H3,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406435
PNG
(CHEMBL105688)
Show SMILES NS(=O)(=O)c1ccc(CCCO)c(F)c1
Show InChI InChI=1S/C9H12FNO3S/c10-9-6-8(15(11,13)14)4-3-7(9)2-1-5-12/h3-4,6,12H,1-2,5H2,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406437
PNG
(CHEMBL321553)
Show SMILES COC(=O)c1cc(ccc1S(=O)(=O)CCCO)S(N)(=O)=O
Show InChI InChI=1S/C11H15NO7S2/c1-19-11(14)9-7-8(21(12,17)18)3-4-10(9)20(15,16)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406439
PNG
(CHEMBL104311)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)cc1
Show InChI InChI=1S/C9H13NO3S2/c10-15(12,13)9-4-2-8(3-5-9)14-7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406455
PNG
(CHEMBL105730)
Show SMILES NS(=O)(=O)c1ccc(SCCO)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H10N2O5S2/c9-17(14,15)6-1-2-8(16-4-3-11)7(5-6)10(12)13/h1-2,5,11H,3-4H2,(H2,9,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406424
PNG
(CHEMBL105691)
Show SMILES Nc1cc(ccc1S(=O)(=O)CCCO)S(N)(=O)=O
Show InChI InChI=1S/C9H14N2O5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5,10H2,(H2,11,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3142
PNG
(2-pyridinone deriv. 48 | 5-ethyl-3-{[(2-methoxy-5-...)
Show SMILES CCc1cc(NCc2cc(C)ccc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C17H22N2O2/c1-5-13-9-15(17(20)19-12(13)3)18-10-14-8-11(2)6-7-16(14)21-4/h6-9,18H,5,10H2,1-4H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406453
PNG
(CHEMBL108015)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O5S2/c10-18(15,16)7-2-3-9(17-5-1-4-12)8(6-7)11(13)14/h2-3,6,12H,1,4-5H2,(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406443
PNG
(CHEMBL104459)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
Show InChI InChI=1S/C8H11NO5S2/c9-16(13,14)8-3-1-7(2-4-8)15(11,12)6-5-10/h1-4,10H,5-6H2,(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406432
PNG
(CHEMBL319238)
Show SMILES CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO5S2/c1-11(2,13)7-8-18(14,15)9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,7-8H2,1-2H3,(H2,12,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406454
PNG
(CHEMBL318951)
Show SMILES NS(=O)(=O)c1ccc(SCCO)s1
Show InChI InChI=1S/C6H9NO3S3/c7-13(9,10)6-2-1-5(12-6)11-4-3-8/h1-2,8H,3-4H2,(H2,7,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406462
PNG
(CHEMBL104961)
Show SMILES COC(=O)c1cc(ccc1S(=O)(=O)CCO)S(N)(=O)=O
Show InChI InChI=1S/C10H13NO7S2/c1-18-10(13)8-6-7(20(11,16)17)2-3-9(8)19(14,15)5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3141
PNG
(2-pyridinone deriv. 47 | 5-ethyl-3-{[(2-methoxy-4-...)
Show SMILES CCc1cc(NCc2ccc(C)cc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C17H22N2O2/c1-5-13-9-15(17(20)19-12(13)3)18-10-14-7-6-11(2)8-16(14)21-4/h6-9,18H,5,10H2,1-4H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3145
PNG
(2-pyridinone deriv. 51 | 5-ethyl-3-{[(5-ethyl-2-me...)
Show SMILES CCc1ccc(OC)c(CNc2cc(CC)c(C)[nH]c2=O)c1
Show InChI InChI=1S/C18H24N2O2/c1-5-13-7-8-17(22-4)15(9-13)11-19-16-10-14(6-2)12(3)20-18(16)21/h7-10,19H,5-6,11H2,1-4H3,(H,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3146
PNG
(2-pyridinone deriv. 52 | 5-ethyl-3-{[(5-ethyl-2-me...)
Show SMILES CCc1cc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)cc1C
Show InChI InChI=1S/C19H26N2O2/c1-6-14-9-16(18(23-5)8-12(14)3)11-20-17-10-15(7-2)13(4)21-19(17)22/h8-10,20H,6-7,11H2,1-5H3,(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406452
PNG
(CHEMBL106848)
Show SMILES NS(=O)(=O)c1ccc(SCCO)cc1
Show InChI InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3147
PNG
(2-pyridinone deriv. 53 | 5-ethyl-3-{[(6-methoxy-2,...)
Show SMILES CCc1cc(NCc2cc3CCCc3cc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C19H24N2O2/c1-4-13-9-17(19(22)21-12(13)2)20-11-16-8-14-6-5-7-15(14)10-18(16)23-3/h8-10,20H,4-7,11H2,1-3H3,(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406450
PNG
(CHEMBL104524)
Show SMILES Nc1cc(ccc1S(=O)(=O)CCO)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4,9H2,(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406426
PNG
(CHEMBL105573)
Show SMILES NS(=O)(=O)c1ccc(CCCO)cc1
Show InChI InChI=1S/C9H13NO3S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3121
PNG
(2-pyridinone deriv. 27 | 5-ethyl-3-{[(2-methoxyphe...)
Show SMILES CCc1cc(NCc2ccccc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C16H20N2O2/c1-4-12-9-14(16(19)18-11(12)2)17-10-13-7-5-6-8-15(13)20-3/h5-9,17H,4,10H2,1-3H3,(H,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 265n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3123
PNG
(2-pyridinone deriv. 29 | 3-{[(2-ethoxyphenyl)methy...)
Show SMILES CCOc1ccccc1CNc1cc(CC)c(C)[nH]c1=O
Show InChI InChI=1S/C17H22N2O2/c1-4-13-10-15(17(20)19-12(13)3)18-11-14-8-6-7-9-16(14)21-5-2/h6-10,18H,4-5,11H2,1-3H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3144
PNG
(2-pyridinone deriv. 50 | 5-ethyl-3-{[(4-ethyl-2-me...)
Show SMILES CCc1ccc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)c1
Show InChI InChI=1S/C18H24N2O2/c1-5-13-7-8-15(17(9-13)22-4)11-19-16-10-14(6-2)12(3)20-18(16)21/h7-10,19H,5-6,11H2,1-4H3,(H,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3124
PNG
(2-pyridinone deriv. 30 | 5-ethyl-6-methyl-3-{[(2-n...)
Show SMILES CCc1cc(NCc2ccccc2[N+]([O-])=O)c(=O)[nH]c1C
Show InChI InChI=1S/C15H17N3O3/c1-3-11-8-13(15(19)17-10(11)2)16-9-12-6-4-5-7-14(12)18(20)21/h4-8,16H,3,9H2,1-2H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3119
PNG
(2-pyridinone deriv. 25 | 5-ethyl-3-{[(2-methoxypyr...)
Show SMILES CCc1cc(NCc2cccnc2OC)c(=O)[nH]c1C
Show InChI InChI=1S/C15H19N3O2/c1-4-11-8-13(14(19)18-10(11)2)17-9-12-6-5-7-16-15(12)20-3/h5-8,17H,4,9H2,1-3H3,(H,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 680n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406433
PNG
(CHEMBL319437)
Show SMILES COC(=O)c1cc(ccc1SCCCO)S(N)(=O)=O
Show InChI InChI=1S/C11H15NO5S2/c1-17-11(14)9-7-8(19(12,15)16)3-4-10(9)18-6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM3125
PNG
(2-pyridinone deriv. 31 | 2-{[(5-ethyl-6-methyl-2-o...)
Show SMILES CCc1cc(NCc2ccccc2C#N)c(=O)[nH]c1C
Show InChI InChI=1S/C16H17N3O/c1-3-12-8-15(16(20)19-11(12)2)18-10-14-7-5-4-6-13(14)9-17/h4-8,18H,3,10H2,1-2H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 70 total )  |  Next  |  Last  >>
Jump to: