Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50015022   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532292 (JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length TTK (unknown origin) using MBP-derived peptide as substrate preincubated for 1 hr in dark followed by substrate addition an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582067 (CHEMBL5093015) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582063 (CHEMBL5092826) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582069 (CHEMBL5073101) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582068 (CHEMBL5077668) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582065 (CHEMBL5075313) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582061 (CHEMBL5081270) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582074 (CHEMBL5081668) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582066 (CHEMBL5084062) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582064 (CHEMBL5091689) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCN(CC(=O)N(C)C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582070 (CHEMBL5085278) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582071 (CHEMBL5086022) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582076 (CHEMBL5079606) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582075 (CHEMBL5085182) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582062 (CHEMBL5086435) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582073 (CHEMBL5077627) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582072 (CHEMBL5087340) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 Show InChI	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
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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					Assay Description Inhibition of TSSK1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TTK autophosphorylation at T686 residue in human CAL-51 cells measured after 1 hr by Western blot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 G2019S mutant (unknown origin) by ADAPTA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 (unknown origin) by ADAPTA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	545	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	944	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TSSK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582067 (CHEMBL5093015) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SRC N1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAPKAPK3 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582065 (CHEMBL5075313) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582061 (CHEMBL5081270) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582069 (CHEMBL5073101) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582076 (CHEMBL5079606) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582075 (CHEMBL5085182) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582074 (CHEMBL5081668) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582073 (CHEMBL5077627) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582071 (CHEMBL5086022) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582070 (CHEMBL5085278) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582068 (CHEMBL5077668) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582062 (CHEMBL5086435) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50512317 (CHEMBL4569626) Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H36N6O4/c1-27(2)15-20(7-13-36-27)37-25-21-6-8-28-24(21)30-26(31-25)29-22-5-4-18(14-23(22)34-3)32-9-11-33(12-10-32)19-16-35-17-19/h4-6,8,14,19-20H,7,9-13,15-17H2,1-3H3,(H2,28,29,30,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582066 (CHEMBL5084062) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP2C8 in human liver microsomes				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair