Found 408 hits with Last Name = 'guichou' and Initial = 'j' 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCL2 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50546262
(CHEMBL4751195)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CNc1ccc2oc(nc2c1)-c1ccc(cc1)N(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCL2 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13954
(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)Show SMILES CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O |r| Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate measured every 30 secs for 15 mins by Michaelis-Menten plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Caspase-3
(Homo sapiens (Human)) | BDBM50546260
(CHEMBL4782926)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)C=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50462575
(CHEMBL4238121)Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31N5O5S/c28-26(29)23-13-11-20(12-14-23)15-30-25(33)16-31-27(34)24(18-37-17-21-7-3-1-4-8-21)32-38(35,36)19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H3,28,29)(H,30,33)(H,31,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human factor 10a using Boc-Leu-Gly-Arg-AMC as fluorogenic substrate measured after 10 mins by spectrofluorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Caspase-3
(Homo sapiens (Human)) | BDBM220
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r| Show InChI InChI=1S/C19H18N2O9S/c22-10-13(7-17(24)25)21-18(26)12-3-1-11(2-4-12)9-20-31(29,30)14-5-6-16(23)15(8-14)19(27)28/h1-6,8,10,13,20,23H,7,9H2,(H,21,26)(H,24,25)(H,27,28)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human caspase 3 using Ac-Asp-Glu-Val-Asp-AFC as substrate preincubated for 30 mins followed by substrate addition and measu... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50546250
(CHEMBL4754689)Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(N\C=C3/CCOC3=O)cc2)nc(N)n1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of biotin-labelled geldanamycin from human HSP90 (D9 to E236 residues) incubated for 3 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50546251
(CHEMBL4783360) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HSP90 (D9 to E236 residues) by fluorescence spectroscopy |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13990
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate measured every 30 secs for 15 mins by Michaelis-Menten plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Caspase-3
(Homo sapiens (Human)) | BDBM50546261
(CHEMBL234378) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50232690
(4-Aminomethyl-Benzamidine | CHEMBL187301)Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human factor 10a using Boc-Leu-Gly-Arg-AMC as fluorogenic substrate measured after 10 mins by spectrofluorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50514418
(CHEMBL4572188)Show SMILES OC(=O)CNC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O6S/c22-18(23)11-20-19(24)17(13-27-12-15-7-3-1-4-8-15)21-28(25,26)14-16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H,20,24)(H,22,23)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human factor 10a using Boc-Leu-Gly-Arg-AMC as fluorogenic substrate measured after 10 mins by spectrofluorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM9047
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50520331
(CHEMBL4445137)Show SMILES CN(C)Cc1nn(C)c2ccc(cc12)-c1ccc(F)c(F)c1OCCc1c(C)nn(C)c1C Show InChI InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NMT1 by fluorescence method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495243
(1-(3-Bromo-5-fluorobenzyl)-4-(5-morpholino-1H-pyrr...)Show SMILES Fc1cc(Br)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C23H20BrFN4O2/c24-17-7-15(8-18(25)10-17)14-29-2-1-16(9-22(29)30)21-13-27-23-20(21)11-19(12-26-23)28-3-5-31-6-4-28/h1-2,7-13H,3-6,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495245
(1-(3-Bromo-2-fluorobenzyl)-4-(5-morpholino-1H-pyrr...)Show SMILES Fc1c(Br)cccc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C23H20BrFN4O2/c24-20-3-1-2-16(22(20)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495226
(1-(4-Iodobenzyl)-4-(5-morpholino-1H-pyrrolo[2,3-b]...)Show SMILES Ic1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)cc1 Show InChI InChI=1S/C23H21IN4O2/c24-18-3-1-16(2-4-18)15-28-6-5-17(11-22(28)29)21-14-26-23-20(21)12-19(13-25-23)27-7-9-30-10-8-27/h1-6,11-14H,7-10,15H2,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495230
(1-(4-Fluoro-3-iodobenzyl)-4-(5-morpholino-1H-pyrro...)Show SMILES Fc1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)cc1I Show InChI InChI=1S/C23H20FIN4O2/c24-20-2-1-15(9-21(20)25)14-29-4-3-16(10-22(29)30)19-13-27-23-18(19)11-17(12-26-23)28-5-7-31-8-6-28/h1-4,9-13H,5-8,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495232
(1-(2-Fluoro-3-iodobenzyl)-4-(5-morpholino-1H-pyrro...)Show SMILES Fc1c(I)cccc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C23H20FIN4O2/c24-22-16(2-1-3-20(22)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495234
(1-(3-Fluoro-5-iodobenzyl)-4-(5-morpholino-1H-pyrro...)Show SMILES Fc1cc(I)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C23H20FIN4O2/c24-17-7-15(8-18(25)10-17)14-29-2-1-16(9-22(29)30)21-13-27-23-20(21)11-19(12-26-23)28-3-5-31-6-4-28/h1-2,7-13H,3-6,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495236
(1-(3-Chloro-5-iodobenzyl)-4-(5-morpholino-1H-pyrro...)Show SMILES Clc1cc(I)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C23H20ClIN4O2/c24-17-7-15(8-18(25)10-17)14-29-2-1-16(9-22(29)30)21-13-27-23-20(21)11-19(12-26-23)28-3-5-31-6-4-28/h1-2,7-13H,3-6,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495238
(1-(4-Chloro-3-iodobenzyl)-4-(5-morpholino-1H-pyrro...)Show SMILES Clc1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)cc1I Show InChI InChI=1S/C23H20ClIN4O2/c24-20-2-1-15(9-21(20)25)14-29-4-3-16(10-22(29)30)19-13-27-23-18(19)11-17(12-26-23)28-5-7-31-8-6-28/h1-4,9-13H,5-8,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495240
(1-(3-(2-Methoxyethoxy)benzyl)-4-(5-morpholino-1H-p...)Show SMILES COCCOc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C26H28N4O4/c1-32-11-12-34-22-4-2-3-19(13-22)18-30-6-5-20(14-25(30)31)24-17-28-26-23(24)15-21(16-27-26)29-7-9-33-10-8-29/h2-6,13-17H,7-12,18H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495242
(4-(5-Morpholino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(...)Show SMILES FC(F)(F)Oc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C24H21F3N4O3/c25-24(26,27)34-19-3-1-2-16(10-19)15-31-5-4-17(11-22(31)32)21-14-29-23-20(21)12-18(13-28-23)30-6-8-33-9-7-30/h1-5,10-14H,6-9,15H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495244
(1-(3-Fluoro-5-(trifluoromethoxy)benzyl)-4-(5-morph...)Show SMILES Fc1cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)cc(OC(F)(F)F)c1 Show InChI InChI=1S/C24H20F4N4O3/c25-17-7-15(8-19(10-17)35-24(26,27)28)14-32-2-1-16(9-22(32)33)21-13-30-23-20(21)11-18(12-29-23)31-3-5-34-6-4-31/h1-2,7-13H,3-6,14H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495246
(1-(2,3-Difluorobenzyl)-4-(5-morpholino-1H-pyrrolo[...)Show SMILES Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1F Show InChI InChI=1S/C23H20F2N4O2/c24-20-3-1-2-16(22(20)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495247
(4-(5-Morpholino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(...)Show SMILES Fc1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c(F)c1F Show InChI InChI=1S/C23H19F3N4O2/c24-19-2-1-15(21(25)22(19)26)13-30-4-3-14(9-20(30)31)18-12-28-23-17(18)10-16(11-27-23)29-5-7-32-8-6-29/h1-4,9-12H,5-8,13H2,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495249
(1-(2-Chloro-3-fluorobenzyl)-4-(5-morpholino-1H-pyr...)Show SMILES Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1Cl Show InChI InChI=1S/C23H20ClFN4O2/c24-22-16(2-1-3-20(22)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495251
(1-(3-Chloro-5-fluorobenzyl)-4-(5-morpholino-1H-pyr...)Show SMILES Fc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C23H20ClFN4O2/c24-17-7-15(8-18(25)10-17)14-29-2-1-16(9-22(29)30)21-13-27-23-20(21)11-19(12-26-23)28-3-5-31-6-4-28/h1-2,7-13H,3-6,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495253
(1-(5-Chloro-2-fluorobenzyl)-4-(5-morpholino-1H-pyr...)Show SMILES Fc1ccc(Cl)cc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C23H20ClFN4O2/c24-17-1-2-21(25)16(9-17)14-29-4-3-15(10-22(29)30)20-13-27-23-19(20)11-18(12-26-23)28-5-7-31-8-6-28/h1-4,9-13H,5-8,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495255
(1-(3-Chloro-2,4-difluorobenzyl)-4-(5-morpholino-1H...)Show SMILES Fc1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c(F)c1Cl Show InChI InChI=1S/C23H19ClF2N4O2/c24-21-19(25)2-1-15(22(21)26)13-30-4-3-14(9-20(30)31)18-12-28-23-17(18)10-16(11-27-23)29-5-7-32-8-6-29/h1-4,9-12H,5-8,13H2,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495257
(1-(3-Fluoro-4-(trifluoromethyl)benzyl)-4-(5-morpho...)Show SMILES Fc1cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)ccc1C(F)(F)F Show InChI InChI=1S/C24H20F4N4O2/c25-21-9-15(1-2-20(21)24(26,27)28)14-32-4-3-16(10-22(32)33)19-13-30-23-18(19)11-17(12-29-23)31-5-7-34-8-6-31/h1-4,9-13H,5-8,14H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495262
(1-(3-Chloro-4-(trifluoromethyl)benzyl)-4-(5-morpho...)Show SMILES FC(F)(F)c1ccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)cc1Cl Show InChI InChI=1S/C24H20ClF3N4O2/c25-21-9-15(1-2-20(21)24(26,27)28)14-32-4-3-16(10-22(32)33)19-13-30-23-18(19)11-17(12-29-23)31-5-7-34-8-6-31/h1-4,9-13H,5-8,14H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495264
(1-(5-Chloro-2-methoxybenzyl)-4-(5-morpholino-1H-py...)Show SMILES COc1ccc(Cl)cc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C24H23ClN4O3/c1-31-22-3-2-18(25)10-17(22)15-29-5-4-16(11-23(29)30)21-14-27-24-20(21)12-19(13-26-24)28-6-8-32-9-7-28/h2-5,10-14H,6-9,15H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495265
(1-(4-Chloro-2-methoxybenzyl)-4-(5-morpholino-1H-py...)Show SMILES COc1cc(Cl)ccc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C24H23ClN4O3/c1-31-22-11-18(25)3-2-17(22)15-29-5-4-16(10-23(29)30)21-14-27-24-20(21)12-19(13-26-24)28-6-8-32-9-7-28/h2-5,10-14H,6-9,15H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495266
(1-(3-Chloro-5-methoxybenzyl)-4-(5-morpholino-1H-py...)Show SMILES COc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C24H23ClN4O3/c1-31-20-9-16(8-18(25)11-20)15-29-3-2-17(10-23(29)30)22-14-27-24-21(22)12-19(13-26-24)28-4-6-32-7-5-28/h2-3,8-14H,4-7,15H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495248
(1-(3-Chloro-5-isopropoxybenzyl)-4-(5-morpholino-1H...)Show SMILES CC(C)Oc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C26H27ClN4O3/c1-17(2)34-22-10-18(9-20(27)12-22)16-31-4-3-19(11-25(31)32)24-15-29-26-23(24)13-21(14-28-26)30-5-7-33-8-6-30/h3-4,9-15,17H,5-8,16H2,1-2H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495250
(1-(3-Chloro-5-(2-hydroxyethoxy)benzyl)-4-(5-morpho...)Show SMILES OCCOc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C25H25ClN4O4/c26-19-9-17(10-21(12-19)34-8-5-31)16-30-2-1-18(11-24(30)32)23-15-28-25-22(23)13-20(14-27-25)29-3-6-33-7-4-29/h1-2,9-15,31H,3-8,16H2,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495252
(1-(3-Chloro-5-methylbenzyl)-4-(5-morpholino-1H-pyr...)Show SMILES Cc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C24H23ClN4O2/c1-16-8-17(10-19(25)9-16)15-29-3-2-18(11-23(29)30)22-14-27-24-21(22)12-20(13-26-24)28-4-6-31-7-5-28/h2-3,8-14H,4-7,15H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495256
(1-(3-Chloro-5-(hydroxymethyl)benzyl)-4-(5-morpholi...)Show SMILES OCc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C24H23ClN4O3/c25-19-8-16(7-17(9-19)15-30)14-29-2-1-18(10-23(29)31)22-13-27-24-21(22)11-20(12-26-24)28-3-5-32-6-4-28/h1-2,7-13,30H,3-6,14-15H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495259
(1-(3-Chloro-5-(methoxymethyl)benzyl)-4-(5-morpholi...)Show SMILES COCc1cc(Cl)cc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-16-18-8-17(9-20(26)10-18)15-30-3-2-19(11-24(30)31)23-14-28-25-22(23)12-21(13-27-25)29-4-6-33-7-5-29/h2-3,8-14H,4-7,15-16H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495261
(1-(1-(3-Chlorophenyl)ethyl)-4-(5-morpholino-1H-pyr...)Show SMILES CC(c1cccc(Cl)c1)n1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495263
(1-(1-(3-Chlorophenyl)-2-methoxyethyl)-4-(5-morphol...)Show SMILES COCC(c1cccc(Cl)c1)n1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495267
((3-(1-(3-Chloro-2-fluorobenzyl)-2-oxo-1,2-dihydrop...)Show SMILES OP(O)(=O)OCn1cc(-c2ccn(Cc3cccc(Cl)c3F)c(=O)c2)c2cc(cnc12)N1CCOCC1 Show InChI InChI=1S/C24H23ClFN4O6P/c25-21-3-1-2-17(23(21)26)13-29-5-4-16(10-22(29)31)20-14-30(15-36-37(32,33)34)24-19(20)11-18(12-27-24)28-6-8-35-9-7-28/h1-5,10-12,14H,6-9,13,15H2,(H2,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495160
(US10995089, Example 2 | US11708364, Example 2)Show SMILES OCc1ccc(cc1)-c1cnc2[nH]cc(-c3ccn(Cc4cccc(Cl)c4)c(=O)c3)c2c1 Show InChI InChI=1S/C26H20ClN3O2/c27-22-3-1-2-18(10-22)15-30-9-8-20(12-25(30)32)24-14-29-26-23(24)11-21(13-28-26)19-6-4-17(16-31)5-7-19/h1-14,31H,15-16H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495172
(US10995089, Example 7 | US11708364, Example 7)Show SMILES Clc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H16ClN5O/c23-18-3-1-2-14(6-18)13-28-5-4-15(8-21(28)29)20-12-25-22-19(20)7-16(9-24-22)17-10-26-27-11-17/h1-12H,13H2,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495174
(US10995089, Example 8 | US11708364, Example 8)Show SMILES Cc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn(Cc4cccc(Cl)c4)c(=O)c3)c2c1 Show InChI InChI=1S/C23H18ClN5O/c1-14-20(12-27-28-14)17-8-19-21(11-26-23(19)25-10-17)16-5-6-29(22(30)9-16)13-15-3-2-4-18(24)7-15/h2-12H,13H2,1H3,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495173
(1-(3-Chlorobenzyl)-4-(5-morpholin-4-yl-1H-pyrrolo[...)Show SMILES Clc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1 Show InChI InChI=1S/C23H21ClN4O2/c24-18-3-1-2-16(10-18)15-28-5-4-17(11-22(28)29)21-14-26-23-20(21)12-19(13-25-23)27-6-8-30-9-7-27/h1-5,10-14H,6-9,15H2,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM495176
(1-(3-Chlorobenzyl)-4-[5-(2-methylmorpholin-4-yl)-1...)Show SMILES CC1CN(CCO1)c1cnc2[nH]cc(-c3ccn(Cc4cccc(Cl)c4)c(=O)c3)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0DDB |
More data for this
Ligand-Target Pair | |
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