Compile Data Set for Download or QSAR

Found 3230 hits with Last Name = 'young' and Initial = 'a'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602306 (CHEMBL5208487) Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295665 ((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602320 (CHEMBL5199631) Show SMILES CC(C)[C@@H]1COC(=O)N1c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602324 (CHEMBL5198796) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295669 ((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1 |r| Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602323 (CHEMBL5209168) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM475607 (US10851091, Compound 103) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1 |r| Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602305 (CHEMBL5209048) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(CO)nn1CC(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602328 (CHEMBL5205438) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602326 (CHEMBL5181348) Show SMILES CO[C@@H]1CCN([C@@H]1C(N)=O)c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602331 (CHEMBL5182371) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C1CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602304 (CHEMBL5182339) Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50128358 (CHEMBL3629347) Show SMILES CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52?,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of human recombinant melanocortin 4 receptor expressed in CHO cells				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602321 (CHEMBL5202305) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602329 (CHEMBL5189517) Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295676 (US10851091, U.S. Pat. No. 8,242,104 No. 486 | US82...) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151177 (BDBM151178 | US8987287, 7) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r| Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]4-DAMP from human recombinant Muscarinic acetylcholine receptor M3 expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151177 (BDBM151178 | US8987287, 7) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r| Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]methyl-spiperone from human recombinant D2S receptor in HEK293 cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor in HEK293 cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602325 (CHEMBL5209394) Show SMILES NC(=O)[C@@H]1[C@H](F)CCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151184 (US8987287, 63) Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50147083 (1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...) Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1 Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602313 (CHEMBL5181675) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CCCOCC1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602332 (CHEMBL5209238) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C1CCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149548 (CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602308 (CHEMBL5192172) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CC[C@H](O)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602315 (CHEMBL5204346) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CCn2nccc2C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]U 69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151183 (US8987287, 49) Show SMILES CCN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C24H31N3O4/c1-2-27-21(30)25-20(29)23(27)7-8-24(31)19-11-16-5-6-17(28)12-18(16)22(24,14-23)9-10-26(19)13-15-3-4-15/h5-6,12,15,19,28,31H,2-4,7-11,13-14H2,1H3,(H,25,29,30)/t19-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602316 (CHEMBL5194906) Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151173 (US8987287, 3) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r| Show InChI InChI=1S/C22H27N3O4/c26-15-4-3-14-9-17-22(29)6-5-21(18(27)23-19(28)24-21)12-20(22,16(14)10-15)7-8-25(17)11-13-1-2-13/h3-4,10,13,17,26,29H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t17-,20-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602307 (CHEMBL5184370) Show SMILES CC1(C)N(C(=O)NC1=O)c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602330 (CHEMBL5186223) Show SMILES CC(C)[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor in HEK293 cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602322 (CHEMBL5185638) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](CCC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50147069 (1-(4-Chloro-3-trifluoromethyl-benzyl)-3-isoquinoli...) Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1Cl Show InChI InChI=1S/C18H13ClF3N3O/c19-15-5-4-11(8-14(15)18(20,21)22)9-24-17(26)25-16-3-1-2-12-10-23-7-6-13(12)16/h1-8,10H,9H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50223336 (1-(1-(cyclopropylmethyl)-6-fluoro-1,2,3,4-tetrahyd...) Show SMILES Fc1ccc2C(CC3CC3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,10.17| Show InChI InChI=1S/C24H24FN3O/c25-18-7-8-19-16(13-18)6-9-23(21(19)12-15-4-5-15)28-24(29)27-22-3-1-2-17-14-26-11-10-20(17)22/h1-3,7-8,10-11,13-15,21,23H,4-6,9,12H2,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6160-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.036 BindingDB Entry DOI: 10.7270/Q28G8KFT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602333 (CHEMBL5202964) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.853	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM151184 (US8987287, 63) Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.860	-56.1	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151175 (US8987287, 5) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C22H29N3O3/c26-16-4-3-15-9-18-22(28)6-5-20(13-23-19(27)24-20)12-21(22,17(15)10-16)7-8-25(18)11-14-1-2-14/h3-4,10,14,18,26,28H,1-2,5-9,11-13H2,(H2,23,24,27)/t18-,20+,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.940	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50073179 (8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...) Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1 Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50223314 (1-(1-(4-(trifluoromethyl)benzyl)-6-fluoro-1,2,3,4-...) Show SMILES Fc1ccc2C(Cc3ccc(cc3)C(F)(F)F)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,17.24| Show InChI InChI=1S/C28H23F4N3O/c29-21-9-10-22-18(15-21)6-11-26(24(22)14-17-4-7-20(8-5-17)28(30,31)32)35-27(36)34-25-3-1-2-19-16-33-13-12-23(19)25/h1-5,7-10,12-13,15-16,24,26H,6,11,14H2,(H2,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6160-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.036 BindingDB Entry DOI: 10.7270/Q28G8KFT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50223313 (1-(1-(4-bromobenzyl)-6-methoxy-1,2,3,4-tetrahydron...) Show SMILES COc1ccc2C(Cc3ccc(Br)cc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:6.6,15.22| Show InChI InChI=1S/C28H26BrN3O2/c1-34-22-10-11-23-19(16-22)7-12-27(25(23)15-18-5-8-21(29)9-6-18)32-28(33)31-26-4-2-3-20-17-30-14-13-24(20)26/h2-6,8-11,13-14,16-17,25,27H,7,12,15H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6160-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.036 BindingDB Entry DOI: 10.7270/Q28G8KFT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50147080 (3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-acrylam...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2cccc3cnccc23)cc1 Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-15H,1-3H3,(H,24,25)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50147067 (1-[2-(4-tert-Butyl-phenyl)-ethyl]-3-isoquinolin-5-...) Show SMILES CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1 Show InChI InChI=1S/C22H25N3O/c1-22(2,3)18-9-7-16(8-10-18)11-14-24-21(26)25-20-6-4-5-17-15-23-13-12-19(17)20/h4-10,12-13,15H,11,14H2,1-3H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50147063 (1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-u...) Show SMILES FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1 Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair

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