Found 152 hits with Last Name = 'schlemmer' and Initial = 'kh' 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM7842
(BAY 59-7939 Analog 17 | US8822458, 46)Show SMILES Brc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18BrN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM7840
(RIVAROXABAN | US8822458, 44 | US8822458, 97)Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12998
(5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r| Show InChI InChI=1S/C20H17ClF3N3O5S/c21-16-4-3-15(33-16)18(29)25-8-12-9-27(19(30)32-12)11-1-2-14(13(7-11)20(22,23)24)26-5-6-31-10-17(26)28/h1-4,7,12H,5-6,8-10H2,(H,25,29)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12997
(5-Chloro-N-({(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-...)Show SMILES Fc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r| Show InChI InChI=1S/C19H17ClFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12999
(BAY 59-7939 Analog 14 | N-({(5S)-3-[3-Amino-4-(3-o...)Show SMILES Nc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r| Show InChI InChI=1S/C19H19ClN4O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10,21H2,(H,22,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602405
(CHEMBL5205373)Show SMILES CCCC1CN(CC(=O)N2CCc3ccccc23)Cc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM7552
(BAY 59-7939 Analog 11 | US8822458, 17)Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C19H18ClN3O4S/c20-16-8-7-15(28-16)18(25)21-10-14-11-23(19(26)27-14)13-5-3-12(4-6-13)22-9-1-2-17(22)24/h3-8,14H,1-2,9-11H2,(H,21,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM7841
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602402
(CHEMBL5181099)Show SMILES OC(=O)C(F)(F)F.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(COC2)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120247
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21N3O4S/c26-19(16-6-5-14-3-1-2-4-15(14)11-16)12-23-20(27)7-9-25-18-8-10-30-13-17(18)21(28)24-22(25)29/h1-6,11H,7-10,12-13H2,(H,23,27)(H,24,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration of the compound required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using doseresponse inhibition |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13008
(4-Amino-5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorphol...)Show SMILES Nc1cc(sc1Cl)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H19ClN4O5S/c20-17-14(21)7-15(30-17)18(26)22-8-13-9-24(19(27)29-13)12-3-1-11(2-4-12)23-5-6-28-10-16(23)25/h1-4,7,13H,5-6,8-10,21H2,(H,22,26)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602384
(CHEMBL5181101) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602376
(CHEMBL5189429) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120236
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C23H22N4O4S/c28-20(16-5-3-15(4-6-16)17-2-1-9-24-12-17)13-25-21(29)7-10-27-19-8-11-32-14-18(19)22(30)26-23(27)31/h1-6,9,12H,7-8,10-11,13-14H2,(H,25,29)(H,26,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120246
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C22H26N4O4S/c27-19(15-3-5-16(6-4-15)25-9-1-2-10-25)13-23-20(28)7-11-26-18-8-12-31-14-17(18)21(29)24-22(26)30/h3-6H,1-2,7-14H2,(H,23,28)(H,24,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602401
(CHEMBL5186852)Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCC2)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602404
(CHEMBL5207692)Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCOC2)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602385
(CHEMBL5174546) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120257
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O5S/c1-33-19-8-6-17(7-9-19)16-2-4-18(5-3-16)22(29)14-26-23(30)10-12-28-21-11-13-34-15-20(21)24(31)27-25(28)32/h2-9H,10-15H2,1H3,(H,26,30)(H,27,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120237
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H22N4O4S/c28-20(17-3-1-15(2-4-17)16-5-9-24-10-6-16)13-25-21(29)7-11-27-19-8-12-32-14-18(19)22(30)26-23(27)31/h1-6,9-10H,7-8,11-14H2,(H,25,29)(H,26,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602398
(CHEMBL5198935)Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC2)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120269
(CHEMBL322133 | N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-...)Show SMILES Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18BrN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120239
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES FC(F)(F)c1ccnc(c1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C22H25F3N6O4S/c23-22(24,25)14-1-4-26-17(11-14)29-6-8-30(9-7-29)19(33)12-27-18(32)2-5-31-16-3-10-36-13-15(16)20(34)28-21(31)35/h1,4,11H,2-3,5-10,12-13H2,(H,27,32)(H,28,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120251
(CHEMBL108702 | N-[2-(3'-Amino-biphenyl-4-yl)-2-oxo...)Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H24N4O4S/c25-18-3-1-2-17(12-18)15-4-6-16(7-5-15)21(29)13-26-22(30)8-10-28-20-9-11-33-14-19(20)23(31)27-24(28)32/h1-7,12H,8-11,13-14,25H2,(H,26,30)(H,27,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602383
(CHEMBL5200395)Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120244
(CHEMBL108341 | N-(2-Biphenyl-4-yl-2-oxo-ethyl)-3-(...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H23N3O4S/c28-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)14-25-22(29)10-12-27-20-11-13-32-15-19(20)23(30)26-24(27)31/h1-9H,10-15H2,(H,25,29)(H,26,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120262
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C23H29N5O5S/c1-33-17-4-2-16(3-5-17)26-9-11-27(12-10-26)21(30)14-24-20(29)6-8-28-19-7-13-34-15-18(19)22(31)25-23(28)32/h2-5H,6-15H2,1H3,(H,24,29)(H,25,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120267
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(H,24,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120261
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1cccnn1 Show InChI InChI=1S/C20H25N7O4S/c28-17(3-6-27-15-4-11-32-13-14(15)19(30)23-20(27)31)21-12-18(29)26-9-7-25(8-10-26)16-2-1-5-22-24-16/h1-2,5H,3-4,6-13H2,(H,21,28)(H,23,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13005
(4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)Show SMILES Clc1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120262
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C23H29N5O5S/c1-33-17-4-2-16(3-5-17)26-9-11-27(12-10-26)21(30)14-24-20(29)6-8-28-19-7-13-34-15-18(19)22(31)25-23(28)32/h2-5H,6-15H2,1H3,(H,24,29)(H,25,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602403
(CHEMBL5181856)Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCCC2)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120274
(3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...)Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N3O4/c27-20(17-10-9-15-5-1-2-6-16(15)13-17)14-24-21(28)11-12-26-19-8-4-3-7-18(19)22(29)25-23(26)30/h1-2,5-6,9-10,13H,3-4,7-8,11-12,14H2,(H,24,28)(H,25,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120254
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cccnn1 Show InChI InChI=1S/C22H21N5O4S/c28-19(15-5-3-14(4-6-15)17-2-1-9-24-26-17)12-23-20(29)7-10-27-18-8-11-32-13-16(18)21(30)25-22(27)31/h1-6,9H,7-8,10-13H2,(H,23,29)(H,25,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120242
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C22H21N5O4S/c28-19(15-3-1-14(2-4-15)16-9-23-13-24-10-16)11-25-20(29)5-7-27-18-6-8-32-12-17(18)21(30)26-22(27)31/h1-4,9-10,13H,5-8,11-12H2,(H,25,29)(H,26,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120265
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H21N3O5S/c1-27-13-4-2-12(3-5-13)16(23)10-20-17(24)6-8-22-15-7-9-28-11-14(15)18(25)21-19(22)26/h2-5H,6-11H2,1H3,(H,20,24)(H,21,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602378
(CHEMBL5174386)Show SMILES CC(C)CC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13004
(5-Bromo-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)p...)Show SMILES Brc1ccc(o1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18BrN3O6/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13010
(5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)Show SMILES Clc1ccc(nc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H19ClN4O5/c21-13-1-6-17(22-9-13)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120277
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H23N3O5S/c28-21(16-6-8-18(9-7-16)32-17-4-2-1-3-5-17)14-25-22(29)10-12-27-20-11-13-33-15-19(20)23(30)26-24(27)31/h1-9H,10-15H2,(H,25,29)(H,26,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120253
(Benzoic acid 4-{2-[3-(2,4-dioxo-3,4,7,8-tetrahydro...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O6S/c29-21(16-6-8-18(9-7-16)34-24(32)17-4-2-1-3-5-17)14-26-22(30)10-12-28-20-11-13-35-15-19(20)23(31)27-25(28)33/h1-9H,10-15H2,(H,26,30)(H,27,31,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120256
(CHEMBL110115 | N-[2-(4-Difluoromethoxy-phenyl)-2-o...)Show SMILES FC(F)Oc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H19F2N3O5S/c20-18(21)29-12-3-1-11(2-4-12)15(25)9-22-16(26)5-7-24-14-6-8-30-10-13(14)17(27)23-19(24)28/h1-4,18H,5-10H2,(H,22,26)(H,23,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120238
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C22H27N5O4S/c28-19(6-8-27-18-7-13-32-15-17(18)21(30)24-22(27)31)23-14-20(29)26-11-9-25(10-12-26)16-4-2-1-3-5-16/h1-5H,6-15H2,(H,23,28)(H,24,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12990
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphen...)Show SMILES Fc1cc(ccc1N1CCOCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r| Show InChI InChI=1S/C19H19ClFN3O4S/c20-17-4-3-16(29-17)18(25)22-10-13-11-24(19(26)28-13)12-1-2-15(14(21)9-12)23-5-7-27-8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120241
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H26N6O4S/c28-18(4-7-27-16-5-12-32-14-15(16)20(30)24-21(27)31)23-13-19(29)26-10-8-25(9-11-26)17-3-1-2-6-22-17/h1-3,6H,4-5,7-14H2,(H,23,28)(H,24,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50602380
(CHEMBL5205423) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01267
BindingDB Entry DOI: 10.7270/Q20P143W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120272
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C22H25F3N6O4S/c23-22(24,25)15-2-1-5-26-19(15)30-9-7-29(8-10-30)18(33)12-27-17(32)3-6-31-16-4-11-36-13-14(16)20(34)28-21(31)35/h1-2,5H,3-4,6-13H2,(H,27,32)(H,28,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120249
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H26N6O4S/c28-18(3-7-27-17-4-12-32-14-16(17)20(30)24-21(27)31)23-13-19(29)26-10-8-25(9-11-26)15-1-5-22-6-2-15/h1-2,5-6H,3-4,7-14H2,(H,23,28)(H,24,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description
Inhibitory activity against human recombinant PARP-1 |
Bioorg Med Chem Lett 12: 3187-90 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0FTT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12992
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphe...)Show SMILES Fc1cc(ccc1N1CCCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r| Show InChI InChI=1S/C19H19ClFN3O3S/c20-17-6-5-16(28-17)18(25)22-10-13-11-24(19(26)27-13)12-3-4-15(14(21)9-12)23-7-1-2-8-23/h3-6,9,13H,1-2,7-8,10-11H2,(H,22,25)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM7495
(BAY 59-7939 Analog 7 | US8822458, 2)Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H20ClN3O4S/c20-17-6-5-16(28-17)18(24)21-11-15-12-23(19(25)27-15)14-3-1-13(2-4-14)22-7-9-26-10-8-22/h1-6,15H,7-12H2,(H,21,24)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | 8.3 | 25 |
Bayer HealthCare AG
| Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ... |
J Med Chem 48: 5900-8 (2005)
Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6 |
More data for this
Ligand-Target Pair | |
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