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Compile Data Set for Download or QSAR

Found 989 hits with Last Name = 'han' and Initial = 'ym'   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50608318
PNG
(CHEMBL5279959)		PDB
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185896
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-tr...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H18F3NO5S/c28-27(29,30)36-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)37-23(26(34)35)15-16-31-24(32)21-3-1-2-4-22(21)25(31)33/h1-4,7-14,23H,15-16H2,(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185883
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)34(32,33)21(22(28)26-31)13-14-27-23(29)19-3-1-2-4-20(19)24(27)30/h1-12,21,31H,13-14H2,(H,26,28)
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n/an/a 0.620n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185900
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S2/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.740n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185888
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-et...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO4S/c1-2-19-7-9-20(10-8-19)11-12-21-13-15-22(16-14-21)34-25(28(32)33)17-18-29-26(30)23-5-3-4-6-24(23)27(29)31/h3-10,13-16,25H,2,17-18H2,1H3,(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185875
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO7S/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.840n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185900
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S2/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.960n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185880
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-isop...)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H25NO6S/c1-17(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)35(33,34)24(27(31)32)15-16-28-25(29)22-5-3-4-6-23(22)26(28)30/h3-14,17,24H,15-16H2,1-2H3,(H,31,32)
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n/an/a 0.980n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...

Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.010
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50185178
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)30-19-7-9-23-22(17-19)26(35-34-23)27-31-24-10-8-21(18-25(24)32-27)37-15-11-20(12-16-37)36-13-5-4-6-14-36/h7-10,17-18,20H,4-6,11-16H2,1-3H3,(H,31,32)(H,34,35)(H2,30,33,38)
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n/an/a 1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...

Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.010
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185890
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-pr...)
Show SMILES CCCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C29H25NO4S/c1-2-5-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)35-26(29(33)34)18-19-30-27(31)24-6-3-4-7-25(24)28(30)32/h3-4,6-11,14-17,26H,2,5,18-19H2,1H3,(H,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM208271
PNG
(US9266835, 44)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl2F3N3O3S/c29-20-6-1-17(2-7-20)27(18-3-8-21(30)9-4-18)19-5-10-24-23(15-19)25(16-26(37)35-24)34-22-11-13-36(14-12-22)40(38,39)28(31,32)33/h1-10,15-16,22,27H,11-14H2,(H2,34,35,37)
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n/an/a 1.20n/an/an/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO-K1 cell membranes

J Med Chem 61: 10276-10298 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01467
BindingDB Entry DOI: 10.7270/Q2PR7ZPM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50020912
PNG
(Largazole Thiol)
Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay

ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185877
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)33(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185899
PNG
(2-[4-(4-chloro-phenylethynyl)-phenylsulfanyl]-4-(1...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H18ClNO4S/c27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)33-23(26(31)32)15-16-28-24(29)21-3-1-2-4-22(21)25(28)30/h1-4,7-14,23H,15-16H2,(H,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185896
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-tr...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H18F3NO5S/c28-27(29,30)36-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)37-23(26(34)35)15-16-31-24(32)21-3-1-2-4-22(21)25(31)33/h1-4,7-14,23H,15-16H2,(H,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM208271
PNG
(US9266835, 44)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl2F3N3O3S/c29-20-6-1-17(2-7-20)27(18-3-8-21(30)9-4-18)19-5-10-24-23(15-19)25(16-26(37)35-24)34-22-11-13-36(14-12-22)40(38,39)28(31,32)33/h1-10,15-16,22,27H,11-14H2,(H2,34,35,37)
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n/an/a 1.30n/an/an/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-rimonabant from human CB1 receptor expressed in CHO cell membranes after 60 mins by TopCount method

J Med Chem 61: 10276-10298 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01467
BindingDB Entry DOI: 10.7270/Q2PR7ZPM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185888
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-et...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO4S/c1-2-19-7-9-20(10-8-19)11-12-21-13-15-22(16-14-21)34-25(28(32)33)17-18-29-26(30)23-5-3-4-6-24(23)27(29)31/h3-10,13-16,25H,2,17-18H2,1H3,(H,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185887
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO5S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)34(33)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 1.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 1.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185883
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)34(32,33)21(22(28)26-31)13-14-27-23(29)19-3-1-2-4-20(19)24(27)30/h1-12,21,31H,13-14H2,(H,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185887
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO5S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)34(33)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185880
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-isop...)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H25NO6S/c1-17(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)35(33,34)24(27(31)32)15-16-28-25(29)22-5-3-4-6-23(22)26(28)30/h3-14,17,24H,15-16H2,1-2H3,(H,31,32)
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n/an/a 1.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50514463
PNG
(CHEMBL4460552)
Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185892
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-is...)
Show SMILES CC(C)c1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C29H25NO4S/c1-19(2)22-13-9-20(10-14-22)7-8-21-11-15-23(16-12-21)35-26(29(33)34)17-18-30-27(31)24-5-3-4-6-25(24)28(30)32/h3-6,9-16,19,26H,17-18H2,1-2H3,(H,33,34)
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n/an/a 1.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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n/an/a 1.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185895
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18ClNO6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(31,32)21(24(29)30)13-14-26-22(27)19-3-1-2-4-20(19)23(26)28/h1-12,21H,13-14H2,(H,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50374491
PNG
(CHEMBL271720)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H15F3N2O6S/c1-23(17-3-2-12-24(26)18(17)25)31(27,28)16-10-8-14(9-11-16)29-13-4-6-15(7-5-13)30-19(20,21)22/h2-12,26H,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185899
PNG
(2-[4-(4-chloro-phenylethynyl)-phenylsulfanyl]-4-(1...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H18ClNO4S/c27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)33-23(26(31)32)15-16-28-24(29)21-3-1-2-4-22(21)25(28)30/h1-4,7-14,23H,15-16H2,(H,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50514463
PNG
(CHEMBL4460552)
Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6/GST-tagged HDAC10 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC ...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50420961
PNG
(CHEMBL2088096)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50514461
PNG
(CHEMBL4443998)
Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185898
PNG
(2-[4-(4-butyl-phenylethynyl)-phenylsulfanyl]-4-(1,...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C30H27NO4S/c1-2-3-6-21-9-11-22(12-10-21)13-14-23-15-17-24(18-16-23)36-27(30(34)35)19-20-31-28(32)25-7-4-5-8-26(25)29(31)33/h4-5,7-12,15-18,27H,2-3,6,19-20H2,1H3,(H,34,35)
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n/an/a 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50514471
PNG
(CHEMBL4450360)
Show SMILES COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1 |r|
Show InChI InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50514461
PNG
(CHEMBL4443998)
Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13

Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50514461
PNG
(CHEMBL4443998)
Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...

J Med Chem 63: 804-815 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01792
BindingDB Entry DOI: 10.7270/Q21839VR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50232833
PNG
(CHEMBL4076610)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cc(ccc12)-c1cccc(OC)c1F
Show InChI InChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)
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n/an/a 2.90n/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))		BDBM50463715
PNG
(CHEMBL4243470)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cc(C)nc3noc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2/c1-12-4-3-5-16(10-12)25-21(27)24-15-8-6-14(7-9-15)17-11-13(2)23-20-18(17)19(22)28-26-20/h3-11H,22H2,1-2H3,(H2,24,25,27)
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n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human KDR using biotin labeled substrate after 1 hr by HTFR assay

Bioorg Med Chem 26: 4735-4744 (2018)


Article DOI: 10.1016/j.bmc.2018.08.013
BindingDB Entry DOI: 10.7270/Q208680Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50185878
PNG
(2-(4'-cyano-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3-...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18N2O6S/c26-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)34(32,33)22(25(30)31)13-14-27-23(28)20-3-1-2-4-21(20)24(27)29/h1-12,22H,13-14H2,(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
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