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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50019130   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50165469
PNG
(CHEMBL3797911)
Show SMILES COc1ccc2c(OCc3nnc4ncc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

Similars

n/an/a 0.120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615563
PNG
(CHEMBL5273665)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5C(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50608294
PNG
(CHEMBL3949465)
Show SMILES COc1cc2c(Oc3ccc(N\C=C4\C(C)=NN(C4=O)c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:15|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615565
PNG
(CHEMBL4576664)
Show SMILES COc1cc2c(Oc3ccc(\C=N\NC(=O)Nc4ccccc4F)cc3F)ccnc2cc1OCCCN1CCCCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50351632
PNG
(CHEMBL498769)
Show SMILES Oc1ccc(Cc2nnc3ncc(nn23)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13N5O/c23-14-8-6-12(7-9-14)10-16-19-20-17-18-11-15(21-22(16)17)13-4-2-1-3-5-13/h1-9,11,23H,10H2
PDB
MMDB

KEGG

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Similars

n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615556
PNG
(CHEMBL5265812)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(Cl)CCCN(C4=O)c4ccc(F)cc4)cc3F)c2cc1OC
PDB
MMDB

KEGG

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PC sid
UniChem
n/an/a 8.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
PDB
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PDB
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615557
PNG
(CHEMBL5287421)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]c(nc34)-c3ccsc3)cc2)c1=O
PDB
MMDB

KEGG

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PC sid
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615553
PNG
(CHEMBL5274074)
Show SMILES CNC(=O)c1ccc(cc1F)-c1ccc2ncc(n2c1)S(=O)(=O)n1ccc2cnccc12
PDB
MMDB

KEGG

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PC sid
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615561
PNG
(CHEMBL5274092)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1ccc2[nH]c3CCNCc3c2c1
PDB
MMDB

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PC sid
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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615564
PNG
(CHEMBL5282538)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4nc5c(C)ccc(C)c5s4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615560
PNG
(CHEMBL5268193)
Show SMILES Cn1cc(cn1)-c1ccc(=O)n(C[C@@H]2CN(CCO2)c2ncc(OCC3CCNCC3)cn2)n1 |r|
PDB
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KEGG

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PC sid
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n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615566
PNG
(CHEMBL5275718)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
PDB
MMDB

KEGG

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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM179801
PNG
(3-((2,6-dichloro-3-fluorophenyl)thio)-5-(1-(piperi...)
Show SMILES Fc1ccc(Cl)c(Sc2n[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1Cl
Show InChI InChI=1S/C20H17Cl2FN6S/c21-15-1-2-16(23)17(22)18(15)30-20-14-7-11(8-25-19(14)27-28-20)12-9-26-29(10-12)13-3-5-24-6-4-13/h1-2,7-10,13,24H,3-6H2,(H,25,27,28)
PDB
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KEGG

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PC sid
UniChem
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615559
PNG
(CHEMBL5288803)
Show SMILES CCCCC[C@@H](NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1c(O)c2ccc(O)c(O)c2oc1=O |r|
PDB
MMDB

KEGG

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PC sid
UniChem
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615555
PNG
(CHEMBL5270849)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3nnc4ccc(Cl)nn34)c2c1)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615568
PNG
(CHEMBL5280503)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c21
PDB
MMDB

KEGG

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n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM222078
PNG
(6-Chloro-3-((2-(2,4-dichlorophenyl)imidazo[1,2-a]p...)
Show SMILES Clc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1
Show InChI InChI=1S/C19H11Cl3N6O/c20-12-3-4-13(14(21)8-12)15-9-27-7-1-2-11(18(27)23-15)10-29-19-25-24-17-6-5-16(22)26-28(17)19/h1-9H,10H2
PDB
MMDB

KEGG

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PC sid
UniChem
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615567
PNG
(CHEMBL5287277)
Show SMILES COc1cc2ncnc(Oc3cccc(c3)C(=O)Nc3ccc(F)cc3)c2cc1OC
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM222456
PNG
(N-(3-fluoro-4-((2-(4-(3-(4-methylpiperazin-1-yl) p...)
Show SMILES CN1CCN(CCCn2cnnc2-c2cc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
Show InChI InChI=1S/C33H36FN9O3/c1-23-30(33(45)43(40(23)3)25-8-5-4-6-9-25)32(44)37-24-10-11-29(27(34)20-24)46-26-12-13-35-28(21-26)31-38-36-22-42(31)15-7-14-41-18-16-39(2)17-19-41/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,37,44)
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 110n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179801
PNG
(3-((2,6-dichloro-3-fluorophenyl)thio)-5-(1-(piperi...)
Show SMILES Fc1ccc(Cl)c(Sc2n[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1Cl
Show InChI InChI=1S/C20H17Cl2FN6S/c21-15-1-2-16(23)17(22)18(15)30-20-14-7-11(8-25-19(14)27-28-20)12-9-26-29(10-12)13-3-5-24-6-4-13/h1-2,7-10,13,24H,3-6H2,(H,25,27,28)
PDB

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PC cid
PC sid
UniChem
n/an/a 135n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM222456
PNG
(N-(3-fluoro-4-((2-(4-(3-(4-methylpiperazin-1-yl) p...)
Show SMILES CN1CCN(CCCn2cnnc2-c2cc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
Show InChI InChI=1S/C33H36FN9O3/c1-23-30(33(45)43(40(23)3)25-8-5-4-6-9-25)32(44)37-24-10-11-29(27(34)20-24)46-26-12-13-35-28(21-26)31-38-36-22-42(31)15-7-14-41-18-16-39(2)17-19-41/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,37,44)
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615554
PNG
(CHEMBL5285153)
Show SMILES Cc1ccc(cc1C)N1NC(=O)\C(=C\c2ccc(o2)-c2cc(ccc2O)[N+]([O-])=O)C1=O
PDB
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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615570
PNG
(CHEMBL5280248)
Show SMILES [#6]\[#6](-[#6])=[#6]-1\[#6]\[#6]=[#6](-[#6])\[#6]-[#6]\[#6]=[#6](-[#6])\[#6]-[#6]-1-[#8]-[#6](=O)-c1ccc(-[#6])cc1 |c:5,10|
PDB
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n/an/a 560n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179801
PNG
(3-((2,6-dichloro-3-fluorophenyl)thio)-5-(1-(piperi...)
Show SMILES Fc1ccc(Cl)c(Sc2n[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1Cl
Show InChI InChI=1S/C20H17Cl2FN6S/c21-15-1-2-16(23)17(22)18(15)30-20-14-7-11(8-25-19(14)27-28-20)12-9-26-29(10-12)13-3-5-24-6-4-13/h1-2,7-10,13,24H,3-6H2,(H,25,27,28)
PDB

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n/an/a 578n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179801
PNG
(3-((2,6-dichloro-3-fluorophenyl)thio)-5-(1-(piperi...)
Show SMILES Fc1ccc(Cl)c(Sc2n[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1Cl
Show InChI InChI=1S/C20H17Cl2FN6S/c21-15-1-2-16(23)17(22)18(15)30-20-14-7-11(8-25-19(14)27-28-20)12-9-26-29(10-12)13-3-5-24-6-4-13/h1-2,7-10,13,24H,3-6H2,(H,25,27,28)
PDB

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n/an/a 651n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615558
PNG
(CHEMBL5270194)
Show SMILES N[C@H]1CCC(CC1)n1c2c(nc(Oc3ccc(cc3)C(=O)N3CCCCC3)c3cccnc23)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r,wD:1.0,(-6.67,-7.54,;-5.58,-6.45,;-4.09,-6.85,;-3,-5.76,;-3.4,-4.27,;-4.89,-3.88,;-5.98,-4.97,;-2.31,-3.19,;-2.65,-1.69,;-1.33,-.92,;-1.33,.62,;-2.66,1.39,;-2.66,2.93,;-1.33,3.7,;-1.33,5.24,;,6,;1.33,5.23,;1.34,3.7,;.01,2.92,;2.67,6,;2.67,7.54,;4,5.23,;5.33,6,;6.67,5.23,;6.67,3.69,;5.33,2.92,;4,3.69,;-3.99,.62,;-5.32,1.39,;-6.66,.62,;-6.66,-.93,;-5.32,-1.69,;-3.99,-.92,;-.17,-1.98,;1.32,-1.58,;2.41,-2.67,;2.01,-4.16,;3.1,-5.24,;4.58,-4.84,;5.67,-5.93,;4.98,-3.35,;6.47,-2.96,;3.9,-2.27,;-.77,-3.35,;-0,-4.68,)|
PDB
MMDB

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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615569
PNG
(CHEMBL5274483)
Show SMILES O=C(CSc1nc(=O)c(\C=C\c2ccco2)n[nH]1)N\N=C\c1cccs1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a 4.31E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615571
PNG
(CHEMBL5266922)
Show SMILES COC[C@@H](CC(=O)OCCc1ccc(O)cc1)C(=C/C)\C=O |r|
PDB
MMDB

KEGG

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PC sid
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM53940
PNG
(2-chloranyl-5-[5-[(Z)-[1-(4-methoxycarbonylphenyl)...)
Show SMILES COC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C23H15ClN2O7/c1-32-23(31)12-2-5-14(6-3-12)26-21(28)17(20(27)25-26)11-15-7-9-19(33-15)13-4-8-18(24)16(10-13)22(29)30/h2-11H,1H3,(H,25,27)(H,29,30)/b17-11-
PDB
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Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 9.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50615562
PNG
(CHEMBL5288034)
Show SMILES O[C@H]1CCC(CC1)n1cc(cn1)-c1ncc2ncn(Cc3ccc4ncccc4c3)c2n1 |r,wU:1.0,(-9.32,3.75,;-8.23,2.66,;-6.74,3.06,;-5.65,1.97,;-6.05,.48,;-7.54,.08,;-8.63,1.17,;-4.96,-.61,;-3.43,-.37,;-2.73,-1.73,;-3.81,-2.82,;-5.21,-2.09,;-1.24,-2.13,;-.84,-3.63,;.65,-4.01,;1.73,-2.93,;3.26,-2.99,;3.83,-1.55,;2.66,-.6,;2.66,.94,;4,1.71,;4,3.25,;5.33,4.01,;6.66,3.24,;7.98,4.01,;9.31,3.25,;9.32,1.72,;8,.95,;6.67,1.71,;5.34,.93,;1.33,-1.44,;-.15,-1.04,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.04E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair