Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'felstead' and Initial = 'r'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593694 (CHEMBL5193253) Show SMILES CN1CC[C@@H]([C@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593696 (CHEMBL5200601) Show SMILES C[C@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593693 (CHEMBL5201376) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593695 (CHEMBL5209502) Show SMILES CN1CC[C@@H]([C@@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593692 (CHEMBL5200432) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593689 (CHEMBL5174529) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593697 (CHEMBL5196755) Show SMILES C[C@@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593710 (CHEMBL5193053) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cnn[nH]4)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593700 (CHEMBL5193024) Show SMILES CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn2)C1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593704 (CHEMBL5186874) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(CC(F)F)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593716 (CHEMBL5207654) Show SMILES C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CC4(C3)CN(C)C4)nc(NC3(C)CC3)c2c1=O |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593685 (CHEMBL5179237) Show SMILES Cn1cc(Nc2nc(NC3(C)CC3)c3nc(CC#N)ccc3n2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593691 (CHEMBL5207332) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593690 (CHEMBL5178970) Show SMILES CN1CC(CCC1=O)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593706 (CHEMBL5190750) Show SMILES C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593715 (CHEMBL5177080) Show SMILES [H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C[C@H](C)F)c4=O)n3)cn1)C2 |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593698 (CHEMBL5187604) Show SMILES [H][C@]12CN(C)[C@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn1)C2 |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593703 (CHEMBL5189582) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C(F)F)c3=O)n2)cn1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593714 (CHEMBL5178692) Show SMILES CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(CC(F)F)c4=O)n3)cn2)C1 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593708 (CHEMBL5188816) Show SMILES C[C@@H](CF)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r| 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593709 (CHEMBL5191035) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cncnc4)c3=O)n2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593713 (CHEMBL5184407) Show SMILES [H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(CC(F)F)c4=O)n3)cn1)C2 |r| 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593702 (CHEMBL5193495) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C4CC4)c3=O)n2)cn1 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593707 (CHEMBL5193438) Show SMILES C[C@H](CF)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505752 (CHEMBL4521212) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(C)nc12 |r,wU:13.17,wD:10.10,(69.97,-6.35,;69.98,-4.81,;68.66,-4.03,;68.68,-2.49,;67.32,-4.78,;67.31,-6.33,;65.97,-7.08,;64.64,-6.3,;64.65,-4.76,;65.99,-4,;63.3,-7.06,;61.96,-6.28,;60.62,-7.05,;60.62,-8.58,;61.96,-9.37,;63.29,-8.6,;59.29,-9.36,;59.28,-10.9,;60.62,-11.68,;60.62,-13.22,;61.95,-13.99,;63.28,-13.22,;63.43,-11.69,;64.94,-11.37,;65.7,-12.7,;67.24,-12.7,;64.68,-13.84,;59.28,-13.99,;57.95,-13.22,;56.63,-14,;55.29,-13.25,;55.27,-11.7,;53.93,-10.95,;56.6,-10.92,;57.94,-11.68,)| Show InChI InChI=1S/C24H33N9O2/c1-16-4-9-20-21(26-16)22(30-23(29-20)28-18-14-25-31(2)15-18)27-17-5-7-19(8-6-17)32-10-12-33(13-11-32)24(34)35-3/h4,9,14-15,17,19H,5-8,10-13H2,1-3H3,(H2,27,28,29,30)/t17-,19-	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593686 (CHEMBL5173450) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccn(C)c(=O)c12 |r,wU:13.17,wD:10.10,(5.33,6.16,;6.67,5.39,;6.67,3.85,;8,3.08,;5.33,3.08,;4,3.85,;2.67,3.08,;2.67,1.54,;4,.77,;5.33,1.54,;1.33,.77,;-0,1.54,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.38,;0,-6.15,;1.34,-5.38,;1.34,-3.84,;2.84,-3.38,;3.72,-4.6,;5.26,-4.6,;2.8,-5.84,;-2.66,-6.16,;-4,-5.39,;-5.33,-6.16,;-6.67,-5.39,;-6.67,-3.85,;-8,-3.08,;-5.33,-3.08,;-5.33,-1.54,;-4,-3.85,)| 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593701 (CHEMBL5205770) Show SMILES CC(C)n1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593711 (CHEMBL5190559) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cn(C)nn4)c3=O)n2)cn1 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	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593688 (CHEMBL5183067) Show SMILES Cn1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593694 (CHEMBL5193253) Show SMILES CN1CC[C@@H]([C@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593712 (CHEMBL5207748) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4nnc[nH]4)c3=O)n2)cn1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593717 (CHEMBL5195464) Show SMILES CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(-c5cn(C)nn5)c4=O)n3)cn2)C1 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	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50356991 (CHEMBL1916247) Show SMILES CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.22,(4.89,-35.35,;5.3,-33.87,;3.8,-34.26,;6.84,-33.87,;8.19,-34.61,;8.22,-36.15,;6.91,-36.95,;9.57,-36.9,;9.76,-38.42,;11.28,-38.71,;12.02,-37.36,;13.51,-37.02,;13.97,-35.55,;12.92,-34.42,;11.41,-34.77,;10.97,-36.24,;6.84,-32.33,;7.23,-30.83,;8.32,-32.72,;5.31,-32.33,;3.98,-31.55,;3.98,-30.01,;2.65,-29.25,;2.65,-27.71,;3.99,-26.94,;4,-25.4,;4,-23.87,;5.32,-27.71,;6.66,-26.95,;5.32,-29.25,)| Show InChI InChI=1S/C22H22ClN5O2/c1-21(2)18(27-17(29)16-12-26-20-25-8-5-9-28(16)20)22(3,4)19(21)30-14-7-6-13(11-24)15(23)10-14/h5-10,12,18-19H,1-4H3,(H,27,29)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593699 (CHEMBL5171632) Show SMILES [H][C@@]12CN(C)[C@@]([H])(C[C@@H]1n1cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn1)C2 |r| 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	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593692 (CHEMBL5200432) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593696 (CHEMBL5200601) Show SMILES C[C@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50356988 (CHEMBL1916245) Show SMILES Cn1cc(cn1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(37.34,-24.69,;35.8,-24.71,;34.88,-23.47,;33.42,-23.97,;33.44,-25.5,;34.91,-25.96,;32.07,-23.22,;30.75,-24.02,;32.04,-21.68,;30.69,-20.94,;29.15,-20.94,;28.74,-22.42,;27.65,-21.33,;29.16,-19.4,;27.82,-18.62,;27.83,-17.08,;26.5,-16.32,;26.5,-14.78,;27.84,-14.01,;27.85,-12.47,;27.85,-10.94,;29.17,-14.79,;30.51,-14.02,;29.16,-16.32,;30.69,-19.4,;31.08,-17.9,;32.17,-19.79,)| Show InChI InChI=1S/C20H23ClN4O2/c1-19(2)17(24-16(26)13-10-23-25(5)11-13)20(3,4)18(19)27-14-7-6-12(9-22)15(21)8-14/h6-8,10-11,17-18H,1-5H3,(H,24,26)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593705 (CHEMBL5198241) Show SMILES C[C@@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r| 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	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593687 (CHEMBL5184305) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccn(CC#N)c(=O)c12 |r,wU:13.17,wD:10.10,(6.67,6.16,;8,5.39,;8,3.85,;9.33,3.08,;6.67,3.08,;5.33,3.85,;4,3.08,;4,1.54,;5.33,.77,;6.67,1.54,;2.67,.77,;1.33,1.54,;-0,.77,;-0,-.77,;1.33,-1.54,;2.67,-.77,;-1.33,-1.54,;-1.33,-3.08,;-0,-3.85,;0,-5.38,;1.34,-6.15,;2.67,-5.38,;2.67,-3.84,;4.17,-3.38,;5.05,-4.6,;6.59,-4.6,;4.13,-5.84,;-1.33,-6.16,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-6.67,-3.08,;-8,-3.85,;-9.33,-4.62,;-4,-3.08,;-4,-1.54,;-2.67,-3.85,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50356990 (CHEMBL1916246) Show SMILES Cc1nnc(o1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(2.34,-36.66,;.8,-36.67,;-.09,-37.93,;-1.56,-37.47,;-1.58,-35.94,;-.12,-35.44,;-2.93,-35.19,;-4.25,-35.99,;-2.96,-33.65,;-4.31,-32.91,;-5.85,-32.91,;-6.26,-34.39,;-7.35,-33.3,;-5.85,-31.37,;-7.18,-30.59,;-7.17,-29.05,;-8.5,-28.29,;-8.51,-26.75,;-7.17,-25.98,;-7.16,-24.44,;-7.15,-22.91,;-5.83,-26.75,;-4.5,-25.99,;-5.84,-28.29,;-4.31,-31.37,;-3.92,-29.87,;-2.83,-31.76,)| Show InChI InChI=1S/C19H21ClN4O3/c1-10-23-24-15(26-10)14(25)22-16-18(2,3)17(19(16,4)5)27-12-7-6-11(9-21)13(20)8-12/h6-8,16-17H,1-5H3,(H,22,25)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50356980 (CHEMBL1916237) Show SMILES CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:4.3,wD:8.8,(9.36,-7.82,;8.01,-7.08,;6.7,-7.87,;7.98,-5.54,;6.63,-4.79,;5.09,-4.79,;4.68,-6.27,;3.59,-5.18,;5.1,-3.25,;3.77,-2.48,;3.77,-.94,;2.44,-.17,;2.44,1.36,;3.78,2.14,;3.79,3.68,;3.79,5.21,;5.11,1.36,;6.45,2.13,;5.11,-.18,;6.63,-3.25,;7.02,-1.75,;8.11,-3.64,)| Show InChI InChI=1S/C17H21ClN2O2/c1-10(21)20-14-16(2,3)15(17(14,4)5)22-12-7-6-11(9-19)13(18)8-12/h6-8,14-15H,1-5H3,(H,20,21)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593700 (CHEMBL5193024) Show SMILES CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(C)c4=O)n3)cn2)C1 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	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593689 (CHEMBL5174529) Show SMILES CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50356987 (CHEMBL1916244) Show SMILES CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(20.6,-21.31,;21.02,-19.83,;19.51,-20.22,;22.56,-19.83,;23.9,-20.58,;23.93,-22.12,;22.62,-22.91,;25.28,-22.86,;25.3,-24.4,;26.77,-24.86,;27.66,-23.6,;26.74,-22.36,;22.56,-18.29,;22.94,-16.79,;24.03,-18.68,;21.02,-18.29,;19.69,-17.52,;19.69,-15.98,;18.36,-15.22,;18.36,-13.68,;19.7,-12.91,;19.71,-11.37,;19.71,-9.84,;21.03,-13.68,;22.37,-12.91,;21.03,-15.22,)| Show InChI InChI=1S/C19H21ClN4O2/c1-18(2)16(24-15(25)12-9-22-23-10-12)19(3,4)17(18)26-13-6-5-11(8-21)14(20)7-13/h5-7,9-10,16-17H,1-4H3,(H,22,23)(H,24,25)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593695 (CHEMBL5209502) Show SMILES CN1CC[C@@H]([C@@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593693 (CHEMBL5201376) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593691 (CHEMBL5207332) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 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	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593697 (CHEMBL5196755) Show SMILES C[C@@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r| 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	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50356989 (CHEMBL1914477) Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:10.10,wD:14.15,(44.07,-26.91,;43.58,-25.45,;42.11,-24.99,;42.09,-23.45,;43.55,-22.96,;44.47,-24.19,;46.01,-24.17,;40.74,-22.71,;39.42,-23.5,;40.71,-21.17,;39.36,-20.42,;37.82,-20.42,;37.41,-21.9,;36.32,-20.81,;37.83,-18.88,;36.49,-18.11,;36.5,-16.57,;35.17,-15.81,;35.17,-14.27,;36.51,-13.5,;36.52,-11.96,;36.52,-10.43,;37.84,-14.27,;39.18,-13.51,;37.83,-15.81,;39.36,-18.88,;39.75,-17.38,;40.84,-19.27,)| Show InChI InChI=1S/C21H25ClN4O2/c1-12-9-16(25-26(12)6)17(27)24-18-20(2,3)19(21(18,4)5)28-14-8-7-13(11-23)15(22)10-14/h7-10,18-19H,1-6H3,(H,24,27)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50593706 (CHEMBL5190750) Show SMILES C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CCN(C)CC3)nc(NC3(C)CC3)c2c1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116729 BindingDB Entry DOI: 10.7270/Q22V2M4V
					More data for this Ligand-Target Pair				3D Structure (crystal)

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