Compile Data Set for Download or QSAR

Found 353 hits with Last Name = 'cumming' and Initial = 'ia'   

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))	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))	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))	BDBM50612201 (CHEMBL5270030) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612188 (CHEMBL5283628) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	BDBM50612187 (CHEMBL5288696) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612189 (CHEMBL5281595) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	BDBM50612193 (CHEMBL5290090) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	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))	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))	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))	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))	BDBM50612191 (CHEMBL5273100) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612181 (CHEMBL5281524) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612202 (CHEMBL5274954) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50612188 (CHEMBL5283628) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	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))	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))	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))	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))	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))	BDBM50612179 (CHEMBL5272567) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612180 (CHEMBL5274369) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612183 (CHEMBL5266181) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612195 (CHEMBL5288931) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612198 (CHEMBL5270903) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505743 (CHEMBL4582624) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)| Show InChI InChI=1S/C25H32N10O2/c1-33-16-19(15-27-33)30-24-31-21-8-5-18(9-10-26)28-22(21)23(32-24)29-17-3-6-20(7-4-17)34-11-13-35(14-12-34)25(36)37-2/h5,8,15-17,20H,3-4,6-7,9,11-14H2,1-2H3,(H2,29,30,31,32)/t17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612200 (CHEMBL5286869) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50082118 (CHEMBL3422678) Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r| Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					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))	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))	BDBM50612199 (CHEMBL5285779) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50612197 (CHEMBL5290338) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50082117 (CHEMBL3422677) Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r| Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					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))	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))	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))	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))	BDBM50612190 (CHEMBL5270136) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	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))	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))	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))	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

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