Found 57 hits with Last Name = 'cory' and Initial = 'm' 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 |
|---|
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50038349
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50228322
(CHEMBL64117)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50228321
(CHEMBL302393)Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50367602
(CHEMBL65397)Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50228322
(CHEMBL64117)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50367601
(CHEMBL293828)Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Antibacterial activity against Escherichia coli |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50228321
(CHEMBL302393)Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50228323
(CHEMBL59603)Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50038350
((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 447 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368077
(CHEMBL3216901 | CHEMBL493336)Show SMILES Cl.Cl.NC(=N)c1ccc(OCCCCCOc2ccc(cc2[N+]([O-])=O)C(N)=N)c(c1)[N+]([O-])=O Show InChI InChI=1S/C19H22N6O6/c20-18(21)12-4-6-16(14(10-12)24(26)27)30-8-2-1-3-9-31-17-7-5-13(19(22)23)11-15(17)25(28)29/h4-7,10-11H,1-3,8-9H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368096
(CHEMBL1204157)Show InChI InChI=1S/C17H22N6/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9,22-23H,1,10-11H2,(H3,18,19)(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368081
(CHEMBL3217116 | CHEMBL522538)Show SMILES Cl.Cl.NC(=N)c1cccc(OCCCOc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C17H20N4O2/c18-16(19)12-4-1-6-14(10-12)22-8-3-9-23-15-7-2-5-13(11-15)17(20)21/h1-2,4-7,10-11H,3,8-9H2,(H3,18,19)(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368082
(CHEMBL3216435 | CHEMBL523180)Show SMILES Cl.Cl.COc1cc(ccc1OCCCCCOc1ccc(cc1OC)C(N)=N)C(N)=N Show InChI InChI=1S/C21H28N4O4/c1-26-18-12-14(20(22)23)6-8-16(18)28-10-4-3-5-11-29-17-9-7-15(21(24)25)13-19(17)27-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H3,22,23)(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368094
(CHEMBL3216660 | CHEMBL494405)Show SMILES Cl.Cl.COc1cc(ccc1OCCCOc1ccc(cc1OC)C(N)=N)C(N)=N Show InChI InChI=1S/C19H24N4O4/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368098
(CHEMBL492579)Show InChI InChI=1S/C19H26N6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11,24-25H,1-3,12-13H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368102
(CHEMBL3216029 | CHEMBL494850)Show SMILES Cl.Cl.NC(=N)c1ccc(OCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C18H22N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368093
(CHEMBL1204156)Show InChI InChI=1S/C18H24N6/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10,23-24H,1-2,11-12H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368100
(CHEMBL1204159)Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2N)C(N)=N)c(N)c1 Show InChI InChI=1S/C19H26N6O2/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11H,1-3,8-9,20-21H2,(H3,22,23)(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368083
(CHEMBL3216032 | CHEMBL495206)Show SMILES Cl.Cl.NC(=N)c1cccc(OCCCCOc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C18H22N4O2/c19-17(20)13-5-3-7-15(11-13)23-9-1-2-10-24-16-8-4-6-14(12-16)18(21)22/h3-8,11-12H,1-2,9-10H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50228323
(CHEMBL59603)Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50038349
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Antibacterial activity against Escherichia coli |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50367601
(CHEMBL293828)Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM45440
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50015234
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368092
(GNF-PF-3839 | PROPAMIDINE CHLORIDE)Show InChI InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50367602
(CHEMBL65397)Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368087
(CHEMBL3215566 | CHEMBL493170)Show SMILES Cl.Cl.NC(=N)c1cccc(OCCCCCOc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-6-4-8-16(12-14)24-10-2-1-3-11-25-17-9-5-7-15(13-17)19(22)23/h4-9,12-13H,1-3,10-11H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368085
(CHEMBL3216215 | CHEMBL492970)Show SMILES Cl.Cl.NC(=N)c1cccc(OCCCCCCOc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-7-5-9-17(13-15)25-11-3-1-2-4-12-26-18-10-6-8-16(14-18)20(23)24/h5-10,13-14H,1-4,11-12H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368074
(CHEMBL1204155)Show SMILES NC(=N)c1ccc(NCCCNc2ccc(cc2[N+]([O-])=O)C(N)=N)c(c1)[N+]([O-])=O Show InChI InChI=1S/C17H20N8O4/c18-16(19)10-2-4-12(14(8-10)24(26)27)22-6-1-7-23-13-5-3-11(17(20)21)9-15(13)25(28)29/h2-5,8-9,22-23H,1,6-7H2,(H3,18,19)(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368075
(CHEMBL1202472)Show SMILES NC(=N)c1ccc(NCCCCCNc2ccc(cc2N)C(N)=N)c(N)c1 Show InChI InChI=1S/C19H28N8/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11,26-27H,1-3,8-9,20-21H2,(H3,22,23)(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368095
(CHEMBL1204150)Show InChI InChI=1S/C16H20N6O2/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6,17-18H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368078
(CHEMBL1204161)Show SMILES NC(=N)c1ccc(NCCCCCCNc2ccc(cc2N)C(N)=N)c(N)c1 Show InChI InChI=1S/C20H30N8/c21-15-11-13(19(23)24)5-7-17(15)27-9-3-1-2-4-10-28-18-8-6-14(20(25)26)12-16(18)22/h5-8,11-12,27-28H,1-4,9-10,21-22H2,(H3,23,24)(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368079
(CHEMBL3216662 | CHEMBL492360)Show SMILES Cl.Cl.NC(=N)c1ccc(OCCCCOc2ccc(cc2[N+]([O-])=O)C(N)=N)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H20N6O6/c19-17(20)11-3-5-15(13(9-11)23(25)26)29-7-1-2-8-30-16-6-4-12(18(21)22)10-14(16)24(27)28/h3-6,9-10H,1-2,7-8H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368089
(CHEMBL3215570 | CHEMBL522667)Show SMILES Cl.Cl.NC(=N)c1ccc(OCCCOc2ccc(cc2N)C(N)=N)c(N)c1 Show InChI InChI=1S/C17H22N6O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,18-19H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368097
(CHEMBL1204158)Show InChI InChI=1S/C16H18N4O2/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368084
(CHEMBL1204154)Show SMILES NC(=N)c1ccc(NCCCCCNc2ccc(cc2[N+]([O-])=O)C(N)=N)c(c1)[N+]([O-])=O Show InChI InChI=1S/C19H24N8O4/c20-18(21)12-4-6-14(16(10-12)26(28)29)24-8-2-1-3-9-25-15-7-5-13(19(22)23)11-17(15)27(30)31/h4-7,10-11,24-25H,1-3,8-9H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368076
(CHEMBL1204149)Show InChI InChI=1S/C18H24N6O2/c19-13-9-11(17(21)22)3-5-15(13)25-7-1-2-8-26-16-6-4-12(18(23)24)10-14(16)20/h3-6,9-10H,1-2,7-8,19-20H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368086
(CHEMBL1204153)Show InChI InChI=1S/C17H24N8/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9,24-25H,1,6-7,18-19H2,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368080
(CHEMBL1204152)Show InChI InChI=1S/C18H26N8/c19-13-9-11(17(21)22)3-5-15(13)25-7-1-2-8-26-16-6-4-12(18(23)24)10-14(16)20/h3-6,9-10,25-26H,1-2,7-8,19-20H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368090
(CHEMBL1204160)Show InChI InChI=1S/C16H22N8/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8,23-24H,5-6,17-18H2,(H3,19,20)(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50038350
((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2050-8 (1989)
BindingDB Entry DOI: 10.7270/Q2RV0QXV |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368088
(CHEMBL1204151)Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2N)C(N)=N)c(N)c1 Show InChI InChI=1S/C20H28N6O2/c21-15-11-13(19(23)24)5-7-17(15)27-9-3-1-2-4-10-28-18-8-6-14(20(25)26)12-16(18)22/h5-8,11-12H,1-4,9-10,21-22H2,(H3,23,24)(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50368099
(CHEMBL494956)Show SMILES C(CCOc1ccc(cc1)C1=NCCN1)CCOc1ccc(cc1)C1=NCCN1 |t:11,27| Show InChI InChI=1S/C23H28N4O2/c1(2-16-28-20-8-4-18(5-9-20)22-24-12-13-25-22)3-17-29-21-10-6-19(7-11-21)23-26-14-15-27-23/h4-11H,1-3,12-17H2,(H,24,25)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of trypsin by amidase assay. |
J Med Chem 33: 1252-7 (1990)
BindingDB Entry DOI: 10.7270/Q2154HNW |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50358043
(CHEMBL1794051 | GW-5074)Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome
Curated by ChEMBL
| Assay Description
Inhibition of cRaf1 kinase in cascade assay |
Bioorg Med Chem Lett 10: 223-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q240R6 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50366677
(CHEMBL1794050)Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)-c2cccnc2)cc1Br Show InChI InChI=1S/C20H12Br2N2O2/c21-16-7-11(8-17(22)19(16)25)6-15-14-9-12(13-2-1-5-23-10-13)3-4-18(14)24-20(15)26/h1-10,25H,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome
Curated by ChEMBL
| Assay Description
Inhibition of cRaf1 kinase in cascade assay |
Bioorg Med Chem Lett 10: 223-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q240R6 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50085414
(3-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(Z)-ylide...)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)c2c1 Show InChI InChI=1S/C17H11Br2NO4/c1-24-17(23)9-2-3-14-10(7-9)11(16(22)20-14)4-8-5-12(18)15(21)13(19)6-8/h2-7,21H,1H3,(H,20,22)/b11-4- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome
Curated by ChEMBL
| Assay Description
Inhibition of cRaf1 kinase in cascade assay |
Bioorg Med Chem Lett 10: 223-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q240R6 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50085408
(2-Amino-8-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)Show SMILES Nc1nc2c3\C(=C\c4cc(Br)c(O)c(Br)c4)C(=O)Nc3ccc2s1 Show InChI InChI=1S/C16H9Br2N3O2S/c17-8-4-6(5-9(18)14(8)22)3-7-12-10(20-15(7)23)1-2-11-13(12)21-16(19)24-11/h1-5,22H,(H2,19,21)(H,20,23)/b7-3- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome
Curated by ChEMBL
| Assay Description
Inhibition of cRaf1 kinase in cascade assay |
Bioorg Med Chem Lett 10: 223-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q240R6 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50085412
(5-Benzoyl-3-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth...)Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C22H13Br2NO3/c23-17-9-12(10-18(24)21(17)27)8-16-15-11-14(6-7-19(15)25-22(16)28)20(26)13-4-2-1-3-5-13/h1-11,27H,(H,25,28)/b16-8- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome
Curated by ChEMBL
| Assay Description
Inhibition of cRaf1 kinase in cascade assay |
Bioorg Med Chem Lett 10: 223-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q240R6 |
More data for this
Ligand-Target Pair | |
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