Compile Data Set for Download or QSAR

Found 349 hits with Last Name = 'eatherton' and Initial = 'aj'   

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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant EP3 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase (Homo sapiens (Human))	BDBM50290085 ((2S,3R)-N*4*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C24H34N4O6/c1-13(2)11-16(19(29)26-18(21(31)25-6)24(3,4)5)17(20(30)27-34)12-28-22(32)14-9-7-8-10-15(14)23(28)33/h7-10,13,16-18,34H,11-12H2,1-6H3,(H,25,31)(H,26,29)(H,27,30)/t16-,17-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					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))	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))	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))	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))	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))	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))	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)
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase (Homo sapiens (Human))	BDBM50290088 ((2S,3R)-N*1*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C22H39N5O6/c1-12(2)10-13(16(28)24-15(18(30)23-8)21(3,4)5)14(17(29)25-33)11-27-19(31)22(6,7)26(9)20(27)32/h12-15,33H,10-11H2,1-9H3,(H,23,30)(H,24,28)(H,25,29)/t13-,14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					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)
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419410 (CHEMBL1915252) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H15ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					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))	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))	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))	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)
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290089 ((2R,3R)-N*1*-[2,2-Dimethyl-1-((R)-methylcarbamoyl)...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-9(2)8-11(10(3)13(20)19-23)14(21)18-12(15(22)17-7)16(4,5)6/h9-12,23H,8H2,1-7H3,(H,17,22)(H,18,21)(H,19,20)/t10-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human gelatinase B, MMP9				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					More data for this Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase (Homo sapiens (Human))	BDBM50290089 ((2R,3R)-N*1*-[2,2-Dimethyl-1-((R)-methylcarbamoyl)...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-9(2)8-11(10(3)13(20)19-23)14(21)18-12(15(22)17-7)16(4,5)6/h9-12,23H,8H2,1-7H3,(H,17,22)(H,18,21)(H,19,20)/t10-,11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290088 ((2S,3R)-N*1*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C22H39N5O6/c1-12(2)10-13(16(28)24-15(18(30)23-8)21(3,4)5)14(17(29)25-33)11-27-19(31)22(6,7)26(9)20(27)32/h12-15,33H,10-11H2,1-9H3,(H,23,30)(H,24,28)(H,25,29)/t13-,14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human gelatinase B, MMP9				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					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))	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))	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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419415 (CHEMBL1915015) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C1CCCCC1)C(O)=O Show InChI InChI=1S/C20H21ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
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))	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))	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))	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))	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290085 ((2S,3R)-N*4*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C24H34N4O6/c1-13(2)11-16(19(29)26-18(21(31)25-6)24(3,4)5)17(20(30)27-34)12-28-22(32)14-9-7-8-10-15(14)23(28)33/h7-10,13,16-18,34H,11-12H2,1-6H3,(H,25,31)(H,26,29)(H,27,30)/t16-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human gelatinase B, MMP9				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					More data for this Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase (Homo sapiens (Human))	BDBM50290086 ((R)-N*1*-[2,2-Dimethyl-1-((R)-methylcarbamoyl)-pro...) Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					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))	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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419403 (CHEMBL1914467) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC1CC1 Show InChI InChI=1S/C23H20ClN3O2/c1-14-9-20(23(28)25-19-7-8-19)26-27(14)13-17-11-18(24)10-16-12-21(29-22(16)17)15-5-3-2-4-6-15/h2-6,9-12,19H,7-8,13H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419417 (CHEMBL1915254) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419419 (CHEMBL1915262) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C25H24ClN3O3/c1-16-10-22(25(30)27-14-21-8-5-9-31-21)28-29(16)15-19-12-20(26)11-18-13-23(32-24(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13,21H,5,8-9,14-15H2,1H3,(H,27,30)/t21-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase (Homo sapiens (Human))	BDBM50290090 ((2S,3R)-3-Cyclopentylmethyl-N-hydroxy-4-oxo-4-pipe...) Show SMILES CN1C(=O)N(C[C@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2299-2302 (1997) Article DOI: 10.1016/S0960-894X(97)00416-2 BindingDB Entry DOI: 10.7270/Q26T0MM8
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50269801 (CHEMBL4100294) Show SMILES Fc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1 Show InChI InChI=1S/C19H14BrFN2O2/c20-14-5-8-18(25-12-13-3-6-15(21)7-4-13)17(10-14)19(24)23-16-2-1-9-22-11-16/h1-11H,12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China. Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin) by HTRF assay				Bioorg Med Chem Lett 27: 4034-4038 (2017) Article DOI: 10.1016/j.bmcl.2017.07.052 BindingDB Entry DOI: 10.7270/Q2MG7S1N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50269809 (CHEMBL4077195) Show SMILES Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H14F4N2O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(20(22,23)24)10-17(18)19(27)26-16-2-1-9-25-11-16/h1-11H,12H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China. Curated by ChEMBL					Assay Description Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 4034-4038 (2017) Article DOI: 10.1016/j.bmcl.2017.07.052 BindingDB Entry DOI: 10.7270/Q2MG7S1N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50269824 (CHEMBL4098650) Show SMILES Cn1cc(cn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C23H20N4O2/c1-27-15-19(13-25-27)18-9-10-22(29-16-17-6-3-2-4-7-17)21(12-18)23(28)26-20-8-5-11-24-14-20/h2-15H,16H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China. Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin) by HTRF assay				Bioorg Med Chem Lett 27: 4034-4038 (2017) Article DOI: 10.1016/j.bmcl.2017.07.052 BindingDB Entry DOI: 10.7270/Q2MG7S1N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50269800 (CHEMBL4068065) Show SMILES Fc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H14BrFN2O2/c20-14-7-8-18(25-12-13-4-1-2-6-17(13)21)16(10-14)19(24)23-15-5-3-9-22-11-15/h1-11H,12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China. Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin) by HTRF assay				Bioorg Med Chem Lett 27: 4034-4038 (2017) Article DOI: 10.1016/j.bmcl.2017.07.052 BindingDB Entry DOI: 10.7270/Q2MG7S1N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419408 (CHEMBL1915261) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,(19.51,-3.15,;19.53,-1.54,;21.04,-1.85,;21.81,-.51,;20.77,.63,;19.36,-.01,;18.02,.76,;16.69,-.02,;15.36,.75,;14.03,-.02,;12.69,.75,;14.03,-1.57,;15.36,-2.34,;15.68,-3.85,;17.21,-4.01,;17.84,-2.6,;16.7,-1.57,;17.98,-5.35,;17.2,-6.67,;17.96,-8.01,;19.51,-8.01,;20.28,-6.67,;19.51,-5.34,;23.34,-.35,;23.96,1.06,;24.25,-1.59,;25.78,-1.59,;26.55,-.26,;28.09,-.26,;28.85,-1.59,;30.39,-1.6,;28.08,-2.92,;26.55,-2.92,)| Show InChI InChI=1S/C26H26ClN3O3/c1-16-11-23(26(32)28-21-7-9-22(31)10-8-21)29-30(16)15-19-13-20(27)12-18-14-24(33-25(18)19)17-5-3-2-4-6-17/h2-6,11-14,21-22,31H,7-10,15H2,1H3,(H,28,32)/t21-,22-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
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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

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