Found 346 hits with Last Name = 'santos' and Initial = 'ed' 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327426
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327425
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327431
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cccnc1 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-2-1-9-26-14-19)27-18-5-3-17(4-6-18)22-29-23(32-10-12-35-13-11-32)31-24(30-22)33-20-7-8-21(33)16-36-15-20/h1-6,9,14,20-21H,7-8,10-13,15-16H2,(H2,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327434
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cncnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-11-25-15-26-12-18)27-17-3-1-16(2-4-17)21-29-22(32-7-9-35-10-8-32)31-23(30-21)33-19-5-6-20(33)14-36-13-19/h1-4,11-12,15,19-20H,5-10,13-14H2,(H2,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327430
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327436
(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327428
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O3/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-42-19-17-39)36-30(35-28)40-26-10-11-27(40)21-43-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327432
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Clc1cc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)ccn1 Show InChI InChI=1S/C25H27ClN8O3/c26-21-13-18(7-8-27-21)29-25(35)28-17-3-1-16(2-4-17)22-30-23(33-9-11-36-12-10-33)32-24(31-22)34-19-5-6-20(34)15-37-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,27,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327422
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O3/c1-18-2-6-20(7-3-18)28-27(35)29-21-8-4-19(5-9-21)24-30-25(33-12-14-36-15-13-33)32-26(31-24)34-22-10-11-23(34)17-37-16-22/h2-9,22-23H,10-17H2,1H3,(H2,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065124
(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327435
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccnnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-7-8-25-26-13-18)27-17-3-1-16(2-4-17)21-29-22(32-9-11-35-12-10-32)31-23(30-21)33-19-5-6-20(33)15-36-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,25,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327421
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C26H28FN7O3/c27-18-3-7-20(8-4-18)29-26(35)28-19-5-1-17(2-6-19)23-30-24(33-11-13-36-14-12-33)32-25(31-23)34-21-9-10-22(34)16-37-15-21/h1-8,21-22H,9-16H2,(H2,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327429
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327420
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C26H29N7O3/c34-26(27-19-4-2-1-3-5-19)28-20-8-6-18(7-9-20)23-29-24(32-12-14-35-15-13-32)31-25(30-23)33-21-10-11-22(33)17-36-16-21/h1-9,21-22H,10-17H2,(H2,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50129464
(CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)Show SMILES Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131531
(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C22H27N3O5S2/c1-5-6-14-30-18-9-11-19(12-10-18)32(28,29)25(4)20(21(26)24-27)22(2,3)31-16-17-8-7-13-23-15-17/h7-13,15,20,27H,14,16H2,1-4H3,(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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065115
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131518
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C19H21N3O5S2/c1-2-3-11-27-16-6-8-17(9-7-16)29(25,26)22-18(19(23)21-24)14-28-13-15-5-4-10-20-12-15/h4-10,12,18,22,24H,11,13-14H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065110
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327423
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C27H28N8O3/c28-15-18-1-5-20(6-2-18)29-27(36)30-21-7-3-19(4-8-21)24-31-25(34-11-13-37-14-12-34)33-26(32-24)35-22-9-10-23(35)17-38-16-22/h1-8,22-23H,9-14,16-17H2,(H2,29,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327427
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H34N8O3/c1-34(2)22-9-7-21(8-10-22)30-28(37)29-20-5-3-19(4-6-20)25-31-26(35-13-15-38-16-14-35)33-27(32-25)36-23-11-12-24(36)18-39-17-23/h3-10,23-24H,11-18H2,1-2H3,(H2,29,30,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327433
(1-(2,3'-bipyridin-5-yl)-3-(4-(4-(3-oxa-8-azabicycl...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C30H31N9O3/c40-30(34-23-7-10-26(32-17-23)21-2-1-11-31-16-21)33-22-5-3-20(4-6-22)27-35-28(38-12-14-41-15-13-38)37-29(36-27)39-24-8-9-25(39)19-42-18-24/h1-7,10-11,16-17,24-25H,8-9,12-15,18-19H2,(H2,33,34,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327436
(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065122
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065127
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131531
(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C22H27N3O5S2/c1-5-6-14-30-18-9-11-19(12-10-18)32(28,29)25(4)20(21(26)24-27)22(2,3)31-16-17-8-7-13-23-15-17/h7-13,15,20,27H,14,16H2,1-4H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein-9 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131523
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15-10(2)13(16)14-17/h5-8,10,15,17H,9H2,1-2H3,(H,14,16)/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065119
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(20)31/h2-15H,16-17H2,1H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50065120
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131516
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxyac...)Show InChI InChI=1S/C12H14N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,8-9H2,1H3,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131519
(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131527
((R)-2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)[C@H](C)C(=O)NO Show InChI InChI=1S/C14H18N2O5S/c1-4-5-10-21-12-6-8-13(9-7-12)22(19,20)16(3)11(2)14(17)15-18/h6-9,11,18H,10H2,1-3H3,(H,15,17)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131519
(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131520
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-13-29-17-8-10-18(11-9-17)31(27,28)24-19(20(25)23-26)21(2,3)30-15-16-7-6-12-22-14-16/h6-12,14,19,24,26H,13,15H2,1-3H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50065122
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327425
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50129464
(CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)Show SMILES Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM26550
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131530
(2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131520
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-13-29-17-8-10-18(11-9-17)31(27,28)24-19(20(25)23-26)21(2,3)30-15-16-7-6-12-22-14-16/h6-12,14,19,24,26H,13,15H2,1-3H3,(H,23,25) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50129469
(CHEMBL304060 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50131531
(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C22H27N3O5S2/c1-5-6-14-30-18-9-11-19(12-10-18)32(28,29)25(4)20(21(26)24-27)22(2,3)31-16-17-8-7-13-23-15-17/h7-13,15,20,27H,14,16H2,1-4H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein 1 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50131529
(3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy...)Show InChI InChI=1S/C13H16N2O5S/c1-2-3-10-20-11-4-6-12(7-5-11)21(18,19)14-9-8-13(16)15-17/h4-7,14,17H,8-10H2,1H3,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotein 1 at 10 uM |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131517
((1R,4R)-2-(4-But-2-ynyloxy-benzenesulfonylamino)-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)O)C(=O)NO Show InChI InChI=1S/C14H18N2O6S/c1-3-4-9-22-11-5-7-12(8-6-11)23(20,21)16-13(10(2)17)14(18)15-19/h5-8,10,13,16-17,19H,9H2,1-2H3,(H,15,18)/t10?,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50065120
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor. |
Bioorg Med Chem Lett 13: 2195-8 (2003)
BindingDB Entry DOI: 10.7270/Q2SF2VJH |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131521
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C15H20N2O5S/c1-4-5-10-22-12-6-8-13(9-7-12)23(20,21)17-14(11(2)3)15(18)16-19/h6-9,11,14,17,19H,10H2,1-3H3,(H,16,18)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50131534
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-2...)Show InChI InChI=1S/C14H18N2O5S/c1-4-5-10-21-11-6-8-12(9-7-11)22(19,20)16-14(2,3)13(17)15-18/h6-9,16,18H,10H2,1-3H3,(H,15,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotein 1 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50305294
(5-(6-morpholino-9H-purin-2-yl)pyridin-3-ol | CHEMB...)Show InChI InChI=1S/C14H14N6O2/c21-10-5-9(6-15-7-10)12-18-13-11(16-8-17-13)14(19-12)20-1-3-22-4-2-20/h5-8,21H,1-4H2,(H,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 653-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H |
More data for this
Ligand-Target Pair | |
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