Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'shankaraiah' and Initial = 'n'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50608976 (CHEMBL5272485) Show SMILES COC(=O)c1ccc(cc1F)C1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM101618 (US8530652, 114) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Topoisomerase I (Bos taurus)	BDBM50450080 (CHEMBL4176420) Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2cccc(O)c2)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H23N3O3/c1-34-22-12-10-19(11-13-22)27-28-24(23-7-2-3-8-25(23)31-28)16-20(30-27)17-29-26(33)14-9-18-5-4-6-21(32)15-18/h2-16,31-32H,17H2,1H3,(H,29,33)/b14-9+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method				Bioorg Med Chem 26: 4916-4929 (2018) Article DOI: 10.1016/j.bmc.2018.08.031 BindingDB Entry DOI: 10.7270/Q2FJ2KBF
					More data for this Ligand-Target Pair
Topoisomerase I (Bos taurus)	BDBM50450081 (CHEMBL4159820) Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H22ClN3O2/c1-34-22-13-9-19(10-14-22)27-28-24(23-4-2-3-5-25(23)32-28)16-21(31-27)17-30-26(33)15-8-18-6-11-20(29)12-7-18/h2-16,32H,17H2,1H3,(H,30,33)/b15-8+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method				Bioorg Med Chem 26: 4916-4929 (2018) Article DOI: 10.1016/j.bmc.2018.08.031 BindingDB Entry DOI: 10.7270/Q2FJ2KBF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50601442 (CHEMBL5173625) Show SMILES CCN(CC)CCN1Cc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O Show InChI	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	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50601442 (CHEMBL5173625) Show SMILES CCN(CC)CCN1Cc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O Show InChI	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	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50601441 (CHEMBL5176427) Show SMILES CCN(CC)CCN1Cc2[nH]c(\C=C3/C(=O)Nc4ccc(I)cc34)c(C)c2C1=O Show InChI	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	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50601448 (CHEMBL5186025) Show SMILES Brc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1 Show InChI	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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50608976 (CHEMBL5272485) Show SMILES COC(=O)c1ccc(cc1F)C1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50185000 (CHEMBL3823844 | US10351548, Compound SA16) Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r| Show InChI InChI=1S/C33H24F2N6O4/c34-26-10-8-19(13-27(26)35)17-41-12-4-7-23(33(41)45)30(42)40-29(20-5-2-1-3-6-20)32(44)38-21-9-11-28-24(14-21)25(31(43)39-28)15-22-16-36-18-37-22/h1-16,18,29H,17H2,(H,36,37)(H,38,44)(H,39,43)(H,40,42)/b25-15-/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50601441 (CHEMBL5176427) Show SMILES CCN(CC)CCN1Cc2[nH]c(\C=C3/C(=O)Nc4ccc(I)cc34)c(C)c2C1=O Show InChI	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	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50601448 (CHEMBL5186025) Show SMILES Brc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1 Show InChI	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	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50601449 (CHEMBL5172659) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1 Show InChI	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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50601449 (CHEMBL5172659) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1 Show InChI	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	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50601444 (CHEMBL5173862) Show SMILES Clc1ccc2NC(=O)C3(c2c1)c1c(NC(=C3C#N)c2ccccc2)n(nc1-c1cccs1)-c1ccccc1 |c:16| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50601445 (CHEMBL5209100) Show SMILES Brc1ccc2NC(=O)C3(c2c1)c1c(NC(=C3C#N)c2ccccc2)n(nc1-c1cccs1)-c1ccccc1 |c:16| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50601442 (CHEMBL5173625) Show SMILES CCN(CC)CCN1Cc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O Show InChI	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	179	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564745 (CHEMBL4797072) Show SMILES Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)c1 Show InChI	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	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564751 (CHEMBL4792614) Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCC2)cc1 Show InChI	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	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564744 (CHEMBL4782392) Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCOCC1 Show InChI	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	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50601443 (CHEMBL5206146) Show SMILES COc1ccc2NC(=O)\C(=N\Nc3nnc4SCC(=Nn34)c3ccccc3)c2c1 |c:18| Show InChI	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	371	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50185000 (CHEMBL3823844 | US10351548, Compound SA16) Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r| Show InChI InChI=1S/C33H24F2N6O4/c34-26-10-8-19(13-27(26)35)17-41-12-4-7-23(33(41)45)30(42)40-29(20-5-2-1-3-6-20)32(44)38-21-9-11-28-24(14-21)25(31(43)39-28)15-22-16-36-18-37-22/h1-16,18,29H,17H2,(H,36,37)(H,38,44)(H,39,43)(H,40,42)/b25-15-/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564752 (CHEMBL4791531) Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCC1 Show InChI	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	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50601443 (CHEMBL5206146) Show SMILES COc1ccc2NC(=O)\C(=N\Nc3nnc4SCC(=Nn34)c3ccccc3)c2c1 |c:18| Show InChI	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	435	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564761 (CHEMBL4780565) Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1 Show InChI	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	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50601447 (CHEMBL5196783) Show SMILES CCCn1cc(\C=N\N=C2/C(=O)Nc3ccc(C)cc23)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	569	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50601443 (CHEMBL5206146) Show SMILES COc1ccc2NC(=O)\C(=N\Nc3nnc4SCC(=Nn34)c3ccccc3)c2c1 |c:18| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	654	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564757 (CHEMBL4780971) Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(Cc2ccccc2)CC1 Show InChI	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	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50198301 ((3aS,10R)-2-butyl-10-(3-hydroxy-phenyl)-3a,4,9,10-...) Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)n2c1=O Show InChI InChI=1S/C23H23N3O3/c1-2-3-11-25-22(28)19-13-17-16-9-4-5-10-18(16)24-20(17)21(26(19)23(25)29)14-7-6-8-15(27)12-14/h4-10,12,21,24,27-28H,2-3,11,13H2,1H3/t21-/m1/s1	PDB MMDB 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	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Eg5 (unknown origin)				Bioorg Med Chem Lett 24: 5413-7 (2015) Article DOI: 10.1016/j.bmcl.2014.10.038 BindingDB Entry DOI: 10.7270/Q2QJ7JWK
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay				Bioorg Med Chem Lett 24: 3356-60 (2014) Article DOI: 10.1016/j.bmcl.2014.05.096 BindingDB Entry DOI: 10.7270/Q2X068PJ
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50046752 (CHEMBL3309648) Show SMILES COc1ccc(F)c(c1)C1C2=C(COC2=O)Nc2c1c1cccnc1c1ncccc21 |t:11| Show InChI InChI=1S/C24H16FN3O3/c1-30-12-6-7-16(25)15(10-12)18-19-13-4-2-8-26-22(13)23-14(5-3-9-27-23)21(19)28-17-11-31-24(29)20(17)18/h2-10,18,28H,11H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay				Bioorg Med Chem Lett 24: 3356-60 (2014) Article DOI: 10.1016/j.bmcl.2014.05.096 BindingDB Entry DOI: 10.7270/Q2X068PJ
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564760 (CHEMBL4796056) Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI	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	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50601447 (CHEMBL5196783) Show SMILES CCCn1cc(\C=N\N=C2/C(=O)Nc3ccc(C)cc23)c2ccccc12 Show InChI	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	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058381 (CHEMBL3334927) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(Br)cc2[nH]1 |r,c:30| Show InChI InChI=1S/C29H25BrN2O7/c1-34-23-9-15(10-24(35-2)27(23)36-3)25-17-12-22-21(38-13-39-22)8-14(17)7-18(26(25)29(33)37-4)28-31-19-6-5-16(30)11-20(19)32-28/h5-12,25-26H,13H2,1-4H3,(H,31,32)/t25-,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058412 (CHEMBL3334928) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(OC)cc2[nH]1 |r,c:30| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50046812 (CHEMBL3309649) Show SMILES Fc1ccc(cc1F)C1C2=C(COC2=O)Nc2c1c1cccnc1c1ncccc21 |t:10| Show InChI InChI=1S/C23H13F2N3O2/c24-14-6-5-11(9-15(14)25)17-18-12-3-1-7-26-21(12)22-13(4-2-8-27-22)20(18)28-16-10-30-23(29)19(16)17/h1-9,17,28H,10H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay				Bioorg Med Chem Lett 24: 3356-60 (2014) Article DOI: 10.1016/j.bmcl.2014.05.096 BindingDB Entry DOI: 10.7270/Q2X068PJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564756 (CHEMBL4784961) Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1 Show InChI	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	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564747 (CHEMBL4796999) Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1 Show InChI	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	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564743 (CHEMBL4789458) Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCOCC1 Show InChI	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50601446 (CHEMBL5170178) Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc4ccccc4[nH]3)c2c1 Show InChI	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058371 (CHEMBL3334924) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccccc2[nH]1 |r,c:30| Show InChI InChI=1S/C29H26N2O7/c1-33-23-11-16(12-24(34-2)27(23)35-3)25-17-13-22-21(37-14-38-22)10-15(17)9-18(26(25)29(32)36-4)28-30-19-7-5-6-8-20(19)31-28/h5-13,25-26H,14H2,1-4H3,(H,30,31)/t25-,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564763 (CHEMBL4777374) Show SMILES Cc1ccc(NC(=O)Nc2nc(Nc3ccccc3)cc(Sc3c[nH]c4ccccc34)n2)cc1 Show InChI	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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564766 (CHEMBL4789638) Show SMILES COc1ccc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc1 Show InChI	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	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564742 (CHEMBL4797262) Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCOCC2)cc1 Show InChI	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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564754 (CHEMBL4789042) Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1 Show InChI	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	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564767 (CHEMBL4784540) Show SMILES Clc1ccc(Nc2cc(Sc3c[nH]c4ccccc34)nc(NC(=O)Nc3ccccc3)n2)cc1 Show InChI	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	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50564746 (CHEMBL4780987) Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1 Show InChI	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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112457 BindingDB Entry DOI: 10.7270/Q2WD4491
					More data for this Ligand-Target Pair

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