Compile Data Set for Download or QSAR

Found 487 hits with Last Name = 'grob' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50357018 (CHEMBL1914483) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C18H28N2O6S/c1-12(2)7-8-20(17(13(3)4)18(21)19-22)27(23,24)14-5-6-15-16(11-14)26-10-9-25-15/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357046 (CHEMBL1916834) Show SMILES CCc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357017 (CHEMBL1916839) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357029 (CHEMBL1916653) Show SMILES CC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236260 (7-[(1E)-1-(hydroxyimino)ethyl]-19-methyl-3,13,19,2...) Show SMILES CC(N=O)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C22H19N5O2/c1-10(26-29)11-3-5-16-13(7-11)19-14-8-23-22(28)20(14)18-12(21(19)24-16)4-6-17-15(18)9-27(2)25-17/h3,5,7,9-10,24H,4,6,8H2,1-2H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251408 (US9452990, 90) Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H30FN7O3/c1-4-30-19(17-7-5-16(15-28)6-8-17)14-21(35)33-9-11-34(12-10-33)26-31-23-18(25(29)32-26)13-20(36-2)24(37-3)22(23)27/h5-8,13,19,30H,4,9-12,14H2,1-3H3,(H2,29,31,32)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236262 (7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...) Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357036 (CHEMBL1916661) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(O)ccc2c1 |r| Show InChI InChI=1S/C20H28N2O5S/c1-13(2)9-10-22(19(14(3)4)20(24)21-25)28(26,27)18-8-6-15-11-17(23)7-5-16(15)12-18/h5-8,11-14,19,23,25H,9-10H2,1-4H3,(H,21,24)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251420 (US9452990, 102) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1(C)COC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H34FN7O4/c1-29(16-41-17-29)15-33-21(19-6-4-18(14-31)5-7-19)13-23(38)36-8-10-37(11-9-36)28-34-25-20(27(32)35-28)12-22(39-2)26(40-3)24(25)30/h4-7,12,21,33H,8-11,13,15-17H2,1-3H3,(H2,32,34,35)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236262 (7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...) Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236266 (7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3,13,19,2...) Show SMILES CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C23H21N5O2/c1-11(27-30-3)12-4-6-17-14(8-12)20-15-9-24-23(29)21(15)19-13(22(20)25-17)5-7-18-16(19)10-28(2)26-18/h4,6,8,10,25H,5,7,9H2,1-3H3,(H,24,29)/b27-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357030 (CHEMBL1916654) Show SMILES CC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357038 (CHEMBL1916663) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C21H30N2O5S/c1-14(2)10-11-23(20(15(3)4)21(24)22-25)29(26,27)19-9-7-16-12-18(28-5)8-6-17(16)13-19/h6-9,12-15,20,25H,10-11H2,1-5H3,(H,22,24)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022671 (CHEMBL3298265) Show SMILES Cc1cn2cc(CNc3ncnc4ccc(nc34)N3CCC[C@@H]3c3cc(F)ccc3F)nc2s1 |r| Show InChI InChI=1S/C24H21F2N7S/c1-14-11-32-12-16(30-24(32)34-14)10-27-23-22-19(28-13-29-23)6-7-21(31-22)33-8-2-3-20(33)17-9-15(25)4-5-18(17)26/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357050 (CHEMBL1916838) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H26N2O4S2/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,8,10-13,17,22H,7,9H2,1-4H3,(H,19,21)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357022 (CHEMBL1916646) Show SMILES CC(C)[C@@H](N(CCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C23H26N2O4S/c1-17(2)22(23(26)24-27)25(15-14-18-8-4-3-5-9-18)30(28,29)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16-17,22,27H,14-15H2,1-2H3,(H,24,26)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236263 (19-methyl-7-[(1E)-1-[(2-methylpropoxy)imino]ethyl]...) Show SMILES CC(C)CO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H33N5O2/c1-15(2)14-36-32-17(5)18-7-10-24-20(11-18)26-21-12-30-29(35)27(21)25-19(28(26)34(24)16(3)4)8-9-23-22(25)13-33(6)31-23/h7,10-11,13,15-16H,8-9,12,14H2,1-6H3,(H,30,35)/b32-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236246 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3,13,19,20...) Show SMILES CCO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C24H23N5O2/c1-4-31-28-12(2)13-5-7-18-15(9-13)21-16-10-25-24(30)22(16)20-14(23(21)26-18)6-8-19-17(20)11-29(3)27-19/h5,7,9,11,26H,4,6,8,10H2,1-3H3,(H,25,30)/b28-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50236270 (1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...) Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2c(F)cccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H19F4N5O3/c1-38-17-11-7-15(8-12-17)23-20(21-24(32)33-13-34-25(21)39-23)14-5-9-16(10-6-14)35-26(37)36-22-18(27(29,30)31)3-2-4-19(22)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant TIE2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357034 (CHEMBL1916658) Show SMILES CC(C)CCN([C@H](COC(C)(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H32N2O5S/c1-16(2)12-13-24(20(21(25)23-26)15-29-22(3,4)5)30(27,28)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16,20,26H,12-13,15H2,1-5H3,(H,23,25)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357026 (CHEMBL1916650) Show SMILES CC(C)[C@@H](N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-18-9-5-6-12-22-18)29(27,28)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357054 (CHEMBL1916642) Show SMILES CC(C)[C@@H](N(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236270 (1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...) Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2c(F)cccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H19F4N5O3/c1-38-17-11-7-15(8-12-17)23-20(21-24(32)33-13-34-25(21)39-23)14-5-9-16(10-6-14)35-26(37)36-22-18(27(29,30)31)3-2-4-19(22)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236259 (3-ethyl-19-methyl-7-[(1E)-1-[(2-methylpropoxy)imin...) Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OCC(C)C Show InChI InChI=1S/C28H31N5O2/c1-6-33-23-10-7-17(16(4)31-35-14-15(2)3)11-19(23)25-20-12-29-28(34)26(20)24-18(27(25)33)8-9-22-21(24)13-32(5)30-22/h7,10-11,13,15H,6,8-9,12,14H2,1-5H3,(H,29,34)/b31-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using rhodamine as substrate after 1 hrs by fluorescence assay				Bioorg Med Chem 19: 4626-34 (2011) Article DOI: 10.1016/j.bmc.2011.06.030 BindingDB Entry DOI: 10.7270/Q2319W8N
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50357018 (CHEMBL1914483) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C18H28N2O6S/c1-12(2)7-8-20(17(13(3)4)18(21)19-22)27(23,24)14-5-6-15-16(11-14)26-10-9-25-15/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251449 (US9452990, 131) Show SMILES CCNC(=O)[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H30F2N6O4/c1-4-30-25(36)17(15-5-7-16(27)8-6-15)14-20(35)33-9-11-34(12-10-33)26-31-22-18(24(29)32-26)13-19(37-2)23(38-3)21(22)28/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,30,36)(H2,29,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236264 (19-methyl-7-[(1E)-1-[(propan-2-yloxy)imino]ethyl]-...) Show SMILES CC(C)O\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H25N5O2/c1-12(2)32-29-13(3)14-5-7-19-16(9-14)22-17-10-26-25(31)23(17)21-15(24(22)27-19)6-8-20-18(21)11-30(4)28-20/h5,7,9,11-12,27H,6,8,10H2,1-4H3,(H,26,31)/b29-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251413 (US9452990, 95) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H32FN7O3/c1-16(2)31-20(18-7-5-17(15-29)6-8-18)14-22(36)34-9-11-35(12-10-34)27-32-24-19(26(30)33-27)13-21(37-3)25(38-4)23(24)28/h5-8,13,16,20,31H,9-12,14H2,1-4H3,(H2,30,32,33)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357020 (CHEMBL1916644) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50357035 (CHEMBL1916660) Show SMILES CC(C)CCN([C@H](C(C)O)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357040 (CHEMBL1916665) Show SMILES CCOc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C22H32N2O5S/c1-6-29-19-9-7-18-14-20(10-8-17(18)13-19)30(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251397 (US9452990, 77) Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H28FN7O3/c1-29-18(16-6-4-15(14-27)5-7-16)13-20(34)32-8-10-33(11-9-32)25-30-22-17(24(28)31-25)12-19(35-2)23(36-3)21(22)26/h4-7,12,18,29H,8-11,13H2,1-3H3,(H2,28,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236254 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...) Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human HDAC2 using rhodamine as substrate after 1 hrs by fluorescence assay				Bioorg Med Chem 19: 4626-34 (2011) Article DOI: 10.1016/j.bmc.2011.06.030 BindingDB Entry DOI: 10.7270/Q2319W8N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236248 (7-[(1E)-(ethoxyimino)methyl]-19-methyl-3,13,19,20-...) Show SMILES CCO\N=C\c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C23H21N5O2/c1-3-30-25-9-12-4-6-17-14(8-12)20-15-10-24-23(29)21(15)19-13(22(20)26-17)5-7-18-16(19)11-28(2)27-18/h4,6,8-9,11,26H,3,5,7,10H2,1-2H3,(H,24,29)/b25-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236252 (7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-(propan...) Show SMILES CO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H27N5O2/c1-13(2)31-21-9-6-15(14(3)29-33-5)10-17(21)23-18-11-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)12-30(4)28-20/h6,9-10,12-13H,7-8,11H2,1-5H3,(H,27,32)/b29-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236258 (19-methyl-7-[(1E)-1-[(2-methylpropoxy)imino]ethyl]...) Show SMILES CC(C)CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H27N5O2/c1-13(2)12-33-30-14(3)15-5-7-20-17(9-15)23-18-10-27-26(32)24(18)22-16(25(23)28-20)6-8-21-19(22)11-31(4)29-21/h5,7,9,11,13,28H,6,8,10,12H2,1-4H3,(H,27,32)/b30-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236256 (3-ethyl-7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3...) Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC Show InChI InChI=1S/C25H25N5O2/c1-5-30-20-9-6-14(13(2)28-32-4)10-16(20)22-17-11-26-25(31)23(17)21-15(24(22)30)7-8-19-18(21)12-29(3)27-19/h6,9-10,12H,5,7-8,11H2,1-4H3,(H,26,31)/b28-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236254 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...) Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236264 (19-methyl-7-[(1E)-1-[(propan-2-yloxy)imino]ethyl]-...) Show SMILES CC(C)O\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H25N5O2/c1-12(2)32-29-13(3)14-5-7-19-16(9-14)22-17-10-26-25(31)23(17)21-15(24(22)27-19)6-8-20-18(21)11-30(4)28-20/h5,7,9,11-12,27H,6,8,10H2,1-4H3,(H,26,31)/b29-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236267 (7-[(1E)-1-(methoxyimino)-2-methylpropyl]-19-methyl...) Show SMILES CO\N=C(/C(C)C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H25N5O2/c1-12(2)23(29-32-4)13-5-7-18-15(9-13)21-16-10-26-25(31)22(16)20-14(24(21)27-18)6-8-19-17(20)11-30(3)28-19/h5,7,9,11-12,27H,6,8,10H2,1-4H3,(H,26,31)/b29-23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236246 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3,13,19,20...) Show SMILES CCO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C24H23N5O2/c1-4-31-28-12(2)13-5-7-18-15(9-13)21-16-10-25-24(30)22(16)20-14(23(21)26-18)6-8-19-17(20)11-29(3)27-19/h5,7,9,11,26H,4,6,8,10H2,1-3H3,(H,25,30)/b28-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236268 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(2-methy...) Show SMILES CCO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H31N5O2/c1-6-35-31-16(4)17-7-10-23-19(11-17)25-20-12-29-28(34)26(20)24-18(27(25)33(23)13-15(2)3)8-9-22-21(24)14-32(5)30-22/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H,29,34)/b31-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236268 (7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(2-methy...) Show SMILES CCO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H31N5O2/c1-6-35-31-16(4)17-7-10-23-19(11-17)25-20-12-29-28(34)26(20)24-18(27(25)33(23)13-15(2)3)8-9-22-21(24)14-32(5)30-22/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H,29,34)/b31-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236257 (19-methyl-3-(2-methylpropyl)-7-[(1E)-1-[(propan-2-...) Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC(C)C Show InChI InChI=1S/C29H33N5O2/c1-15(2)13-34-24-10-7-18(17(5)32-36-16(3)4)11-20(24)26-21-12-30-29(35)27(21)25-19(28(26)34)8-9-23-22(25)14-33(6)31-23/h7,10-11,14-16H,8-9,12-13H2,1-6H3,(H,30,35)/b32-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50236251 (7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-(2-meth...) Show SMILES CO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H29N5O2/c1-14(2)12-32-22-9-6-16(15(3)30-34-5)10-18(22)24-19-11-28-27(33)25(19)23-17(26(24)32)7-8-21-20(23)13-31(4)29-21/h6,9-10,13-14H,7-8,11-12H2,1-5H3,(H,28,33)/b30-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control				Bioorg Med Chem Lett 18: 1916-21 (2008) Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV
					More data for this Ligand-Target Pair

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