Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'vives martinez' and Initial = 'j'   

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
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426135 (5-[2-(4-Fluorophenyl)-8-(4-fluoro-1-piperidyl)imid...) Show SMILES FC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426135 (5-[2-(4-Fluorophenyl)-8-(4-fluoro-1-piperidyl)imid...) Show SMILES FC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426226 (5-[2-(4-Fluorophenyl)-7-(4-hydroxy-1-piperidyl)pyr...) Show SMILES OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426232 (5-[7-(4-Acetylpiperazin-1-yl)-2-(4-fluorophenyl)py...) Show SMILES CC(=O)N1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)26-28-9-8-22-24(18-4-7-21-19(14-18)15-23(35)29-21)25(30-33(22)26)17-2-5-20(27)6-3-17/h2-9,14H,10-13,15H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426073 (5-[8-(4-Acetylpiperazin-1-yl)-2-(4-fluorophenyl)im...) Show SMILES CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)25-26-30-23(17-2-5-20(27)6-3-17)24(33(26)9-8-28-25)18-4-7-21-19(14-18)15-22(35)29-21/h2-9,14H,10-13,15H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426098 (5-[2-(4-Fluorophenyl)-8-(4-hydroxy-1-piperidyl)imi...) Show SMILES OC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)28-20)31-12-9-27-24(25(31)29-22)30-10-7-19(32)8-11-30/h1-6,9,12-13,19,32H,7-8,10-11,14H2,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426224 (5-[2-(4-Fluorophenyl)-7-morpholino-pyrazolo[1,5-c]...) Show SMILES Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1 Show InChI InChI=1S/C24H20FN5O2/c25-18-4-1-15(2-5-18)23-22(16-3-6-19-17(13-16)14-21(31)27-19)20-7-8-26-24(30(20)28-23)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426069 (5-[2-(4-Fluorophenyl)-8-morpholino-imidazo[1,2-a]p...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1 Show InChI InChI=1S/C24H20FN5O2/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426093 (5-[2-(4-Fluorophenyl)-8-(3-oxopiperazin-1-yl)imida...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1 Show InChI InChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)21-22(15-3-6-18-16(11-15)12-19(32)28-18)31-10-8-27-23(24(31)29-21)30-9-7-26-20(33)13-30/h1-6,8,10-11H,7,9,12-13H2,(H,26,33)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426071 (4-[2-(4-Fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1 Show InChI InChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426228 (5-[2-(4-Fluorophenyl)-7-(3-oxopiperazin-1-yl)pyraz...) Show SMILES Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1 Show InChI InChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)23-22(15-3-6-18-16(11-15)12-20(32)28-18)19-7-8-27-24(31(19)29-23)30-10-9-26-21(33)13-30/h1-8,11H,9-10,12-13H2,(H,26,33)(H,28,32)	PDB UniProtKB/SwissProt 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
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426250 (5-[2-(4-Fluorophenyl)-7-(4-fluoro-1-piperidyl)pyra...) Show SMILES FC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)29-20)21-7-10-28-25(32(21)30-24)31-11-8-19(27)9-12-31/h1-7,10,13,19H,8-9,11-12,14H2,(H,29,33)	PDB UniProtKB/SwissProt 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
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509857 (CHEMBL4474333) Show SMILES Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN4O2/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(28)8-4-16)27-10-9-24-21(22(27)25-19)26-11-13-29-14-12-26/h1-10,28H,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM426144 (4-[2-(4-Fluorophenyl)-8-morpholino-imidazo[1,2-a]p...) Show SMILES Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O2/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(28)8-4-16)27-10-9-24-21(22(27)25-19)26-11-13-29-14-12-26/h1-10,28H,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509856 (CHEMBL4533591) Show SMILES Nc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5O/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(24)8-4-16)28-10-9-25-21(22(28)26-19)27-11-13-29-14-12-27/h1-10H,11-14,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-8 subunit (Homo sapiens (Human))	BDBM50509854 (CHEMBL4439385) Show SMILES COCCn1cc(cn1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN6O2/c1-30-11-10-28-15-17(14-25-28)20-19(16-2-4-18(23)5-3-16)26-22-21(24-6-7-29(20)22)27-8-12-31-13-9-27/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma8 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-8 subunit (Homo sapiens (Human))	BDBM50509858 (CHEMBL4526929) Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O/c20-14-7-5-13(6-8-14)19-21-17-3-1-2-4-18(17)22(19)15-9-11-16(23)12-10-15/h1-12,23H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma8 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM426071 (4-[2-(4-Fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1 Show InChI InChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM426069 (5-[2-(4-Fluorophenyl)-8-morpholino-imidazo[1,2-a]p...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1 Show InChI InChI=1S/C24H20FN5O2/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509859 (CHEMBL4458004) Show SMILES COc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-19-8-4-17(5-9-19)21-20(16-2-6-18(24)7-3-16)26-23-22(25-10-11-28(21)23)27-12-14-30-15-13-27/h2-11H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509858 (CHEMBL4526929) Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O/c20-14-7-5-13(6-8-14)19-21-17-3-1-2-4-18(17)22(19)15-9-11-16(23)12-10-15/h1-12,23H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM426226 (5-[2-(4-Fluorophenyl)-7-(4-hydroxy-1-piperidyl)pyr...) Show SMILES OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM426226 (5-[2-(4-Fluorophenyl)-7-(4-hydroxy-1-piperidyl)pyr...) Show SMILES OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426144 (4-[2-(4-Fluorophenyl)-8-morpholino-imidazo[1,2-a]p...) Show SMILES Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O2/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(28)8-4-16)27-10-9-24-21(22(27)25-19)26-11-13-29-14-12-26/h1-10,28H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509854 (CHEMBL4439385) Show SMILES COCCn1cc(cn1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN6O2/c1-30-11-10-28-15-17(14-25-28)20-19(16-2-4-18(23)5-3-16)26-22-21(24-6-7-29(20)22)27-8-12-31-13-9-27/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426069 (5-[2-(4-Fluorophenyl)-8-morpholino-imidazo[1,2-a]p...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1 Show InChI InChI=1S/C24H20FN5O2/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426135 (5-[2-(4-Fluorophenyl)-8-(4-fluoro-1-piperidyl)imid...) Show SMILES FC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426093 (5-[2-(4-Fluorophenyl)-8-(3-oxopiperazin-1-yl)imida...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1 Show InChI InChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)21-22(15-3-6-18-16(11-15)12-19(32)28-18)31-10-8-27-23(24(31)29-21)30-9-7-26-20(33)13-30/h1-6,8,10-11H,7,9,12-13H2,(H,26,33)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426098 (5-[2-(4-Fluorophenyl)-8-(4-hydroxy-1-piperidyl)imi...) Show SMILES OC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)28-20)31-12-9-27-24(25(31)29-22)30-10-7-19(32)8-11-30/h1-6,9,12-13,19,32H,7-8,10-11,14H2,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM50509856 (CHEMBL4533591) Show SMILES Nc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5O/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(24)8-4-16)28-10-9-25-21(22(28)26-19)27-11-13-29-14-12-27/h1-10H,11-14,24H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM50509857 (CHEMBL4474333) Show SMILES Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN4O2/c23-17-5-1-15(2-6-17)19-20(16-3-7-18(28)8-4-16)27-10-9-24-21(22(27)25-19)26-11-13-29-14-12-26/h1-10,28H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM50509859 (CHEMBL4458004) Show SMILES COc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-19-8-4-17(5-9-19)21-20(16-2-6-18(24)7-3-16)26-23-22(25-10-11-28(21)23)27-12-14-30-15-13-27/h2-11H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426071 (4-[2-(4-Fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1...) Show SMILES Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1 Show InChI InChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM426073 (5-[8-(4-Acetylpiperazin-1-yl)-2-(4-fluorophenyl)im...) Show SMILES CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C26H23FN6O2/c1-16(34)31-10-12-32(13-11-31)25-26-30-23(17-2-5-20(27)6-3-17)24(33(26)9-8-28-25)18-4-7-21-19(14-18)15-22(35)29-21/h2-9,14H,10-13,15H2,1H3,(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Glutamate receptor 1/Voltage-dependent calcium channel gamma-2 subunit (Homo sapiens (Human))	BDBM50509855 (CHEMBL4545322) Show SMILES CC(=O)Nc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c1-16(31)27-20-8-4-18(5-9-20)22-21(17-2-6-19(25)7-3-17)28-24-23(26-10-11-30(22)24)29-12-14-32-15-13-29/h2-11H,12-15H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induc...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel gamma-8 subunit (Rattus norvegicus)	BDBM50509855 (CHEMBL4545322) Show SMILES CC(=O)Nc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c1-16(31)27-20-8-4-18(5-9-20)22-21(17-2-6-19(25)7-3-17)28-24-23(26-10-11-30(22)24)29-12-14-32-15-13-29/h2-11H,12-15H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holdin...				ACS Med Chem Lett 10: 267-272 (2019) Article DOI: 10.1021/acsmedchemlett.8b00599 BindingDB Entry DOI: 10.7270/Q26H4MRG
					More data for this Ligand-Target Pair