Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'gurbani' and Initial = 'd'   

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 7 (Homo sapiens (Human))	BDBM50209651 (CHEMBL3883384) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB 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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514531 (CHEMBL4538743) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3ccoc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C28H29N7O2/c1-3-26(36)31-24-6-4-5-7-25(24)32-27-23(20-12-17-37-19-20)18-29-28(33-27)30-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35/h3-12,17-19H,1,13-16H2,2H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514534 (CHEMBL4515441) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50514534 (CHEMBL4515441) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of HCK (unknown origin)				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514530 (CHEMBL4548584) Show SMILES CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1C(=O)Nc1c(C)cccc1Cl Show InChI InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514520 (CHEMBL4462060) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(OCc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H34ClN7O2/c1-4-30(41)36-27-10-5-6-11-28(27)37-31-29(42-21-25-22(2)8-7-9-26(25)33)20-34-32(38-31)35-23-12-14-24(15-13-23)40-18-16-39(3)17-19-40/h4-15,20H,1,16-19,21H2,2-3H3,(H,36,41)(H2,34,35,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514519 (CHEMBL4574265) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cccs3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C28H29N7OS/c1-3-26(36)31-23-7-4-5-8-24(23)32-27-22(25-9-6-18-37-25)19-29-28(33-27)30-20-10-12-21(13-11-20)35-16-14-34(2)15-17-35/h3-13,18-19H,1,14-17H2,2H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209653 (CHEMBL3884616) Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209653 (CHEMBL3884616) Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209662 (CHEMBL3884569) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209662 (CHEMBL3884569) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514527 (CHEMBL4452399) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1C Show InChI InChI=1S/C33H35ClN8O2/c1-5-29(43)37-26-11-6-7-12-27(26)38-31-24(32(44)39-30-21(2)9-8-10-25(30)34)20-35-33(40-31)36-23-13-14-28(22(3)19-23)42-17-15-41(4)16-18-42/h5-14,19-20H,1,15-18H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50209651 (CHEMBL3883384) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514510 (CHEMBL4442889) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)-c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C36H35N7O2/c1-3-34(44)39-32-11-7-8-12-33(32)40-35-31(26-13-19-30(20-14-26)45-29-9-5-4-6-10-29)25-37-36(41-35)38-27-15-17-28(18-16-27)43-23-21-42(2)22-24-43/h3-20,25H,1,21-24H2,2H3,(H,39,44)(H2,37,38,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514535 (CHEMBL4460150) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(OCc3ccc(C)cc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H35N7O2/c1-4-30(40)35-27-7-5-6-8-28(27)36-31-29(41-22-24-11-9-23(2)10-12-24)21-33-32(37-31)34-25-13-15-26(16-14-25)39-19-17-38(3)18-20-39/h4-16,21H,1,17-20,22H2,2-3H3,(H,35,40)(H2,33,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514524 (CHEMBL4470506) Show SMILES CN1CCN(CC1)c1ccccc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)c(Nc2ccccc2NC(=O)C=C)n1 Show InChI InChI=1S/C32H33ClN8O2/c1-4-28(42)35-24-12-5-6-13-25(24)36-30-22(31(43)38-29-21(2)10-9-11-23(29)33)20-34-32(39-30)37-26-14-7-8-15-27(26)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,35,42)(H,38,43)(H2,34,36,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514513 (CHEMBL4562024) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)-c2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C32H33N7O2/c1-4-30(41)35-28-7-5-6-8-29(28)36-31-27(24-11-9-23(10-12-24)22(2)40)21-33-32(37-31)34-25-13-15-26(16-14-25)39-19-17-38(3)18-20-39/h4-16,21H,1,17-20H2,2-3H3,(H,35,41)(H2,33,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514521 (CHEMBL4569421) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(OCc3ccc(Oc4ccccc4)cc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C37H37N7O3/c1-3-35(45)40-32-11-7-8-12-33(32)41-36-34(46-26-27-13-19-31(20-14-27)47-30-9-5-4-6-10-30)25-38-37(42-36)39-28-15-17-29(18-16-28)44-23-21-43(2)22-24-44/h3-20,25H,1,21-24,26H2,2H3,(H,40,45)(H2,38,39,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514514 (CHEMBL4563120) Show SMILES COc1ccc(cn1)-c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1Nc1ccccc1NC(=O)C=C Show InChI InChI=1S/C30H32N8O2/c1-4-27(39)34-25-7-5-6-8-26(25)35-29-24(21-9-14-28(40-3)31-19-21)20-32-30(36-29)33-22-10-12-23(13-11-22)38-17-15-37(2)16-18-38/h4-14,19-20H,1,15-18H2,2-3H3,(H,34,39)(H2,32,33,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209753 (CHEMBL3884642) Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H13ClF2N6O2/c1-2-14(27)24-12-5-3-4-6-13(12)28-15-11(18)8-21-17(25-15)23-10-7-22-26(9-10)16(19)20/h2-9,16H,1H2,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514528 (CHEMBL4537568) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NS(=O)(=O)C=C)n2)cc1 Show InChI InChI=1S/C31H33ClN8O3S/c1-4-44(42,43)38-27-11-6-5-10-26(27)35-29-24(30(41)36-28-21(2)8-7-9-25(28)32)20-33-31(37-29)34-22-12-14-23(15-13-22)40-18-16-39(3)17-19-40/h4-15,20,38H,1,16-19H2,2-3H3,(H,36,41)(H2,33,34,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209753 (CHEMBL3884642) Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H13ClF2N6O2/c1-2-14(27)24-12-5-3-4-6-13(12)28-15-11(18)8-21-17(25-15)23-10-7-22-26(9-10)16(19)20/h2-9,16H,1H2,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209758 (CHEMBL3884143) Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209758 (CHEMBL3884143) Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514512 (CHEMBL4578438) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)CCl)n2)cc1 Show InChI InChI=1S/C31H32Cl2N8O2/c1-20-6-5-7-24(33)28(20)38-30(43)23-19-34-31(35-21-10-12-22(13-11-21)41-16-14-40(2)15-17-41)39-29(23)37-26-9-4-3-8-25(26)36-27(42)18-32/h3-13,19H,14-18H2,1-2H3,(H,36,42)(H,38,43)(H2,34,35,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514517 (CHEMBL4453645) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C33H35ClN8O2/c1-5-29(43)37-27-8-6-7-9-28(27)38-31-25(32(44)39-30-22(3)18-21(2)19-26(30)34)20-35-33(40-31)36-23-10-12-24(13-11-23)42-16-14-41(4)15-17-42/h5-13,18-20H,1,14-17H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50514518 (CHEMBL4436957) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cc(Cl)cc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H32Cl2N8O2/c1-4-28(43)37-26-7-5-6-8-27(26)38-30-24(31(44)39-29-20(2)17-21(33)18-25(29)34)19-35-32(40-30)36-22-9-11-23(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,1,13-16H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209758 (CHEMBL3884143) Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209653 (CHEMBL3884616) Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50514531 (CHEMBL4538743) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3ccoc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C28H29N7O2/c1-3-26(36)31-24-6-4-5-7-25(24)32-27-23(20-12-17-37-19-20)18-29-28(33-27)30-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35/h3-12,17-19H,1,13-16H2,2H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged FGFR1 (308 to 731 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substra...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
					More data for this Ligand-Target Pair

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