Compile Data Set for Download or QSAR

Found 3259 hits with Last Name = 'li' and Initial = 'mh'   

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
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312809 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C22H20N4O4/c1-25-11-10-22(29,21(25)28)9-8-14-4-3-5-15(12-14)18-17-7-6-16(30-2)13-26(17)20(24-18)19(23)27/h3-7,12-13,29H,10-11H2,1-2H3,(H2,23,27)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50457820 (CHEMBL4216289) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc(N)c(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H18N4O3/c1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)15-6-5-14(20)16(22-15)17(21)24/h2-6,11,26H,9-10,20H2,1H3,(H2,21,24)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50457816 (CHEMBL4215425) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312763 (1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r| Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h2-5,7,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50086681 (CHEMBL3426309) Show SMILES [H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3C(=O)Nc1cnn(c1)[C@H](c1ccccc1)[C@@]1([H])CCCCS1(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant full length human ITK using AcEFPIYDFLPAKKK-NH2 as substrate after 35 mins by Morrison plot analysis				J Med Chem 58: 3806-16 (2015) Article DOI: 10.1021/jm501998m BindingDB Entry DOI: 10.7270/Q28K7BTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11876 (1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxypheny...) Show SMILES ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11878 (1-Acetyl-N-hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11878 (1-Acetyl-N-hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11889 (N-Hydroxy-2-methyl-2-[(4-phenoxyphenyl)sulfonyl]-p...) Show SMILES CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50015266 (CHEMBL3263053) Show SMILES CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins				J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11876 (1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxypheny...) Show SMILES ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11883 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenylthio)phenyl]-...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50532599 (CHEMBL4559129) Show SMILES CCCc1nc(C)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H30N2O6S/c1-5-6-22-23(13-7-18(4)28-22)35-26(20-10-14-24-25(15-20)34-16-33-24)27(30)29-36(31,32)21-11-8-19(9-12-21)17(2)3/h7-15,17,26H,5-6,16H2,1-4H3,(H,29,30)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 BindingDB Entry DOI: 10.7270/Q26113SR
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50532599 (CHEMBL4559129) Show SMILES CCCc1nc(C)ccc1O[C@@H](C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H30N2O6S/c1-5-6-22-23(13-7-18(4)28-22)35-26(20-10-14-24-25(15-20)34-16-33-24)27(30)29-36(31,32)21-11-8-19(9-12-21)17(2)3/h7-15,17,26H,5-6,16H2,1-4H3,(H,29,30)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 BindingDB Entry DOI: 10.7270/Q26113SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11877 (N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312785 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C21H19N5O4/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-19-16(17(24-26)18(22)27)11-15(30-2)12-23-19/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50343081 (CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-13				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11884 (N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(vi...) Show SMILES ONC(=O)C1(CCN(CC=C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h2-11,25H,1,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50037076 (CHEMBL3355737) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)C2CCCC2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(11.82,-31.11,;11.83,-29.57,;13.16,-28.8,;13.17,-27.26,;11.84,-26.5,;10.5,-27.26,;10.5,-28.8,;11.83,-24.96,;10.5,-24.19,;9.16,-24.96,;7.83,-24.19,;7.83,-22.65,;9.16,-21.88,;9.15,-20.34,;10.49,-19.56,;11.9,-20.19,;12.93,-19.05,;12.15,-17.72,;10.65,-18.04,;14.46,-19.19,;15.24,-20.52,;16.74,-20.2,;16.9,-18.67,;15.49,-18.04,;10.49,-22.64,;6.49,-24.96,;7.25,-26.29,;5.72,-26.28,;5.16,-24.19,;5.17,-22.65,;3.84,-21.88,;2.5,-22.65,;2.51,-24.2,;3.84,-24.96,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full-length ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis				Bioorg Med Chem Lett 24: 5818-23 (2014) Article DOI: 10.1016/j.bmcl.2014.10.020 BindingDB Entry DOI: 10.7270/Q2NK3GNT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312765 (5-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...) Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r| Show InChI InChI=1S/C20H16FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312788 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r| Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)17-16-7-2-3-11-25(16)19(23-17)18(22)26/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11883 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenylthio)phenyl]-...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11866 (N-Hydroxy-1-(3-methoxybenzyl)-4-{[(4-phenoxyphenyl...) Show SMILES COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(CC2)C(=O)NO)c1 Show InChI InChI=1S/C27H30N2O6S/c1-34-24-9-5-6-21(18-24)19-29-16-14-27(15-17-29,26(30)28-31)20-36(32,33)25-12-10-23(11-13-25)35-22-7-3-2-4-8-22/h2-13,18,31H,14-17,19-20H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H28N2O7S/c1-22(2,3)32-21(27)25-15-13-23(14-16-25,20(26)24-28)33(29,30)19-11-9-18(10-12-19)31-17-7-5-4-6-8-17/h4-12,28H,13-16H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11864 (beta-sulfone 7a | tert-Butyl 4-[(Hydroxyamino)carb...) Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C24H30N2O7S/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18/h4-12,29H,13-17H2,1-3H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50086604 (CHEMBL3426308) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(C(=O)Nc3cnn(c3)[C@@H](C3CCS(=O)(=O)CC3)c3ccccc3)c1C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant full length human ITK using AcEFPIYDFLPAKKK-NH2 as substrate after 35 mins by Morrison plot analysis				J Med Chem 58: 3806-16 (2015) Article DOI: 10.1021/jm501998m BindingDB Entry DOI: 10.7270/Q28K7BTH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11864 (beta-sulfone 7a | tert-Butyl 4-[(Hydroxyamino)carb...) Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C24H30N2O7S/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18/h4-12,29H,13-17H2,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50022940 (CHEMBL3298373) Show SMILES CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCNCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H32N6O/c1-25(2)11-8-20-21(14-25)29-30-22(20)24(32)28-19-15-27-31(16-19)23(17-6-4-3-5-7-17)18-9-12-26-13-10-18/h3-7,15-16,18,23,26H,8-14H2,1-2H3,(H,28,32)(H,29,30)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins				J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11875 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11877 (N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11872 (1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidin...) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312764 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r| Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-18-15(6-3-10-22-18)16(23-25)17(21)26/h2-6,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50457815 (CHEMBL4211840) Show SMILES COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r| Show InChI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312711 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r| Show InChI InChI=1S/C21H18N4O3/c1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26/h2-8,13,28H,11-12H2,1H3,(H2,22,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11868 (CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1 Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11889 (N-Hydroxy-2-methyl-2-[(4-phenoxyphenyl)sulfonyl]-p...) Show SMILES CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50037066 (CHEMBL3355728) Show SMILES Cc1cnc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)s1 |r,wU:12.11,wD:15.15,(26,-11.56,;24.47,-11.4,;23.69,-10.07,;22.19,-10.39,;22.03,-11.92,;20.69,-12.69,;20.7,-14.23,;19.37,-15,;19.37,-16.55,;20.7,-17.32,;22.04,-16.55,;23.37,-17.31,;23.38,-18.85,;24.71,-19.61,;24.7,-21.15,;23.37,-21.92,;23.37,-23.46,;22.04,-21.15,;22.04,-19.62,;22.03,-15,;18.03,-17.31,;18.79,-18.64,;17.26,-18.64,;16.7,-16.54,;16.71,-15,;15.38,-14.23,;14.04,-15,;14.05,-16.55,;15.38,-17.31,;23.44,-12.55,)| Show InChI InChI=1S/C21H24N4O3S2/c1-14-13-22-21(29-14)25-20-12-18(30(27,28)17-5-3-2-4-6-17)11-19(24-20)23-15-7-9-16(26)10-8-15/h2-6,11-13,15-16,26H,7-10H2,1H3,(H2,22,23,24,25)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full-length ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis				Bioorg Med Chem Lett 24: 5818-23 (2014) Article DOI: 10.1016/j.bmcl.2014.10.020 BindingDB Entry DOI: 10.7270/Q2NK3GNT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312723 (5-fluoro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r| Show InChI InChI=1S/C21H17FN4O3/c1-25-10-9-21(29,20(25)28)8-7-13-3-2-4-15(11-13)26-17-6-5-14(22)12-16(17)18(24-26)19(23)27/h2-6,11-12,29H,9-10H2,1H3,(H2,23,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11884 (N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(vi...) Show SMILES ONC(=O)C1(CCN(CC=C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h2-11,25H,1,12-16H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11875 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11879 (N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...) Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11882 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenylthio)-ph...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O5S2/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair

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