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There are 13 purchasable compounds for target: ABL1

Wt: 493.6
BDBM13530
Wt: 437.5
BDBM26474
Wt: 379.8
BDBM86858
Wt: 440.7
BDBM86859
Wt: 379.8
BDBM86860
Wt: 379.8
BDBM86861
Wt: 379.8
BDBM86863
Wt: 363.4
BDBM86867
Wt: 424.3
BDBM86868
Wt: 361.8
BDBM86869
Wt: 361.8
BDBM86871
Wt: 440.7
BDBM86873
Wt: 345.4
BDBM86875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 13530,26474,86858,86859,86860,86861,86863,86867,86868,86869,86871,86873,86875   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ABL1


(HUMAN)
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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13n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86859
PNG
(CAS_1327207 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrClN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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47n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86875
PNG
(CAS_685639 | N-(5-(benzylthio)-1,3,4-thiadiazol-2-...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
Show InChI InChI=1S/C16H12FN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)
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70n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86868
PNG
(CAS_3643794 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrFN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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89n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86860
PNG
(CAS_3320545 | N-(5-(4-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1
Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-5-3-11(4-6-12)14(22)19-15-20-21-16(24-15)23-9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,20,22)
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104n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86867
PNG
(CAS_4573026 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(F)c2)s1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)
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167n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86863
PNG
(CAS_4390766 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1
Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)
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217n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
ABL1


(HUMAN)
BDBM86873
PNG
(CAS_3448811 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrClN3OS2/c17-11-7-5-10(6-8-11)9-23-16-21-20-15(24-16)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22)
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225n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
ABL1


(HUMAN)
BDBM86858
PNG
(CAS_2192320 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1
Show InChI InChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)14(22)19-15-20-21-16(24-15)23-9-10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,20,22)
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272n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
ABL1


(HUMAN)
BDBM86871
PNG
(CAS_7946867 | N-(5-(benzylthio)-1,3,4-thiadiazol-2...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
Show InChI InChI=1S/C16H12ClN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)
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400n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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Ligand-Target Pair
ABL1


(HUMAN)
BDBM86861
PNG
(CAS_2363161 | N-(5-(4-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1
Show InChI InChI=1S/C16H11ClFN3OS2/c17-13-4-2-1-3-12(13)14(22)19-15-20-21-16(24-15)23-9-10-5-7-11(18)8-6-10/h1-8H,9H2,(H,19,20,22)
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406n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
ABL1


(HUMAN)
BDBM86869
PNG
(CAS_5157299 | N-(5-(benzylthio)-1,3,4-thiadiazol-2...)
Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1
Show InChI InChI=1S/C16H12ClN3OS2/c17-13-9-5-4-8-12(13)14(21)18-15-19-20-16(23-15)22-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,21)
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920n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




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Ligand-Target Pair
ABL1


(HUMAN)
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/a 620n/an/an/an/an/an/a



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


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Ligand-Target Pair