Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'ohashi' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272596 (CHEMBL4126450) Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272602 (CHEMBL4126877) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272605 (CHEMBL4128542) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272606 (CHEMBL4125917) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272607 (CHEMBL4126057) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272604 (CHEMBL4129011) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)27-18-13-14-28(15-18)19-9-11-20(12-10-19)29-23(24,25)26;;/h2-12,16,18,27H,13-15H2,1H3;2*1H/t16-,18+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50261663 (CHEMBL4079960) Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O2/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27/h2-12,16,19,24H,13-15H2,1H3,(H,26,27)/t16-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543060 (CHEMBL4642843) Show SMILES C[C@@H](c1ccc(Cl)c(Cl)c1)n1ncc2nc([nH]c(=O)c12)-n1cc(cn1)C(O)=O |r| Show InChI InChI=1S/C17H12Cl2N6O3/c1-8(9-2-3-11(18)12(19)4-9)25-14-13(6-21-25)22-17(23-15(14)26)24-7-10(5-20-24)16(27)28/h2-8H,1H3,(H,27,28)(H,22,23,26)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543056 (CHEMBL4647424) Show SMILES OC(=O)c1cnn(c1)-c1nc2cnn(Cc3ccc(cc3)-c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H16N6O3/c29-20-19-18(25-22(26-20)28-13-17(10-23-28)21(30)31)11-24-27(19)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,30,31)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272608 (CHEMBL4125688) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272592 (CHEMBL4125724) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543057 (CHEMBL4645985) Show SMILES OC(=O)c1cnn(c1)-c1nc2cn(Cc3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C22H16N6O3/c29-20-19-18(24-22(25-20)28-12-17(10-23-28)21(30)31)13-27(26-19)11-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,30,31)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272595 (CHEMBL4127153) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543054 (CHEMBL4648388) Show SMILES OC(=O)c1cnn(c1)-c1nc2scc(Cc3ccc(cc3)-c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C23H16N4O3S/c28-20-19-17(10-14-6-8-16(9-7-14)15-4-2-1-3-5-15)13-31-21(19)26-23(25-20)27-12-18(11-24-27)22(29)30/h1-9,11-13H,10H2,(H,29,30)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543059 (CHEMBL4643092) Show SMILES OC(=O)c1cnn(c1)-c1nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1 Show InChI InChI=1S/C16H10Cl2N6O3/c17-10-2-1-8(3-11(10)18)6-23-13-12(5-20-23)21-16(22-14(13)25)24-7-9(4-19-24)15(26)27/h1-5,7H,6H2,(H,26,27)(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543058 (CHEMBL4648359) Show SMILES OC(=O)c1cnn(c1)-c1nc2cnn(Cc3ccc(c(F)c3)-c3ccccc3F)c2c(=O)[nH]1 Show InChI InChI=1S/C22H14F2N6O3/c23-16-4-2-1-3-14(16)15-6-5-12(7-17(15)24)10-29-19-18(9-26-29)27-22(28-20(19)31)30-11-13(8-25-30)21(32)33/h1-9,11H,10H2,(H,32,33)(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272594 (CHEMBL4130093) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543055 (CHEMBL4647772) Show SMILES OC(=O)c1cnn(c1)-c1nc2ccn(Cc3ccc(cc3)-c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C23H17N5O3/c29-21-20-19(25-23(26-21)28-14-18(12-24-28)22(30)31)10-11-27(20)13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,30,31)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543062 (CHEMBL4646935) Show SMILES C[C@@H](c1cc(Cl)ccc1Cl)n1ncc2nc([nH]c(=O)c12)-n1cc(cn1)C(O)=O |r| Show InChI InChI=1S/C17H12Cl2N6O3/c1-8(11-4-10(18)2-3-12(11)19)25-14-13(6-21-25)22-17(23-15(14)26)24-7-9(5-20-24)16(27)28/h2-8H,1H3,(H,27,28)(H,22,23,26)/t8-/m0/s1	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543061 (CHEMBL4638332) Show SMILES C[C@H](c1ccc(Cl)c(Cl)c1)n1ncc2nc([nH]c(=O)c12)-n1cc(cn1)C(O)=O |r| Show InChI InChI=1S/C17H12Cl2N6O3/c1-8(9-2-3-11(18)12(19)4-9)25-14-13(6-21-25)22-17(23-15(14)26)24-7-10(5-20-24)16(27)28/h2-8H,1H3,(H,27,28)(H,22,23,26)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543053 (CHEMBL4649343) Show SMILES OC(=O)c1cnn(c1)-c1nc2scc(Cc3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C17H12N4O3S/c22-14-13-11(6-10-4-2-1-3-5-10)9-25-15(13)20-17(19-14)21-8-12(7-18-21)16(23)24/h1-5,7-9H,6H2,(H,23,24)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272603 (CHEMBL4130141) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-10-4-7-18-6-2-3-9-23(18)22)25-20-8-5-15-26(16-20)21-13-11-19(12-14-21)24(27)28;;/h2-4,6-7,9-14,17,20,25H,5,8,15-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in bacterial membranes using AMMC as substrate preincubated for 10 mins followed by NADPH addition m...				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272593 (CHEMBL4129371) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)27-18-13-14-28(15-18)19-9-11-20(12-10-19)29-23(24,25)26;;/h2-12,16,18,27H,13-15H2,1H3;2*1H/t16-,18-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543051 (CHEMBL4638096) Show SMILES OC(=O)c1cnn(c1)-c1nc2scc(CC3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C17H18N4O3S/c22-14-13-11(6-10-4-2-1-3-5-10)9-25-15(13)20-17(19-14)21-8-12(7-18-21)16(23)24/h7-10H,1-6H2,(H,23,24)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50543052 (CHEMBL4644023) Show SMILES Cc1csc2nc([nH]c(=O)c12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C11H8N4O3S/c1-5-4-19-9-7(5)8(16)13-11(14-9)15-3-6(2-12-15)10(17)18/h2-4H,1H3,(H,17,18)(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay				ACS Med Chem Lett 11: 1416-1420 (2020) Article DOI: 10.1021/acsmedchemlett.0c00108 BindingDB Entry DOI: 10.7270/Q25H7KTS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543892 (CHEMBL4649482) Show SMILES O=C(Nc1ncns1)C(=N\N1CCCC1)\c1ccc(cc1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C17H19N5O3S2/c23-16(20-17-18-11-19-26-17)15(21-22-9-1-2-10-22)12-3-5-13(6-4-12)27(24,25)14-7-8-14/h3-6,11,14H,1-2,7-10H2,(H,18,19,20,23)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543890 (CHEMBL4641678) Show SMILES Clc1cnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1 Show InChI InChI=1S/C18H19ClN4O3S2/c19-15-11-20-18(27-15)21-17(24)16(22-23-9-1-2-10-23)12-3-5-13(6-4-12)28(25,26)14-7-8-14/h3-6,11,14H,1-2,7-10H2,(H,20,21,24)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543895 (CHEMBL4646396) Show SMILES CN1CCN(Cc2cnc(NC(=O)C(=N\N3CCCC3)\c3ccc(cc3)S(=O)(=O)C3CC3)s2)CC1 Show InChI InChI=1S/C24H32N6O3S2/c1-28-12-14-29(15-13-28)17-19-16-25-24(34-19)26-23(31)22(27-30-10-2-3-11-30)18-4-6-20(7-5-18)35(32,33)21-8-9-21/h4-7,16,21H,2-3,8-15,17H2,1H3,(H,25,26,31)/b27-22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543889 (CHEMBL4645293) Show SMILES O=C(Nc1nccs1)C(=N\N1CCCC1)\c1ccc(cc1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C18H20N4O3S2/c23-17(20-18-19-9-12-26-18)16(21-22-10-1-2-11-22)13-3-5-14(6-4-13)27(24,25)15-7-8-15/h3-6,9,12,15H,1-2,7-8,10-11H2,(H,19,20,23)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2E1 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2A6 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543894 (CHEMBL4637653) Show SMILES Cc1nnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1 Show InChI InChI=1S/C18H21N5O3S2/c1-12-20-21-18(27-12)19-17(24)16(22-23-10-2-3-11-23)13-4-6-14(7-5-13)28(25,26)15-8-9-15/h4-7,15H,2-3,8-11H2,1H3,(H,19,21,24)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543896 (CHEMBL4644080) Show SMILES CC(=O)N1CCN(Cc2cnc(NC(=O)C(=N\N3CCCC3)\c3ccc(cc3)S(=O)(=O)C3CC3)s2)CC1 Show InChI InChI=1S/C25H32N6O4S2/c1-18(32)30-14-12-29(13-15-30)17-20-16-26-25(36-20)27-24(33)23(28-31-10-2-3-11-31)19-4-6-21(7-5-19)37(34,35)22-8-9-22/h4-7,16,22H,2-3,8-15,17H2,1H3,(H,26,27,33)/b28-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50543893 (CHEMBL4632835) Show SMILES Cc1cnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1 Show InChI InChI=1S/C19H22N4O3S2/c1-13-12-20-19(27-13)21-18(24)17(22-23-10-2-3-11-23)14-4-6-15(7-5-14)28(25,26)16-8-9-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,20,21,24)/b22-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127249 BindingDB Entry DOI: 10.7270/Q2P84GG5
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161668 (1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O3S2/c1-25(22,23)15-8-6-14(7-9-15)20(12-13-4-2-3-5-13)17(21)19-16-18-10-11-24-16/h6-11,13H,2-5,12H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161669 (1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-(...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1nc(O)cs1 Show InChI InChI=1S/C16H20N4O3S/c1-23-14-7-6-12(8-17-14)20(9-11-4-2-3-5-11)16(22)19-15-18-13(21)10-24-15/h6-8,10-11,21H,2-5,9H2,1H3,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161670 (3-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...) Show SMILES NC(=O)c1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19ClN4O2S/c18-14-9-20-16(25-14)21-17(24)22(10-11-4-1-2-5-11)13-7-3-6-12(8-13)15(19)23/h3,6-9,11H,1-2,4-5,10H2,(H2,19,23)(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161671 (3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1nccs1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C15H13BrN4O3S3/c1-26(22,23)11-4-2-10(3-5-11)20(9-13-17-6-7-24-13)15(21)19-14-18-8-12(16)25-14/h2-8H,9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161672 (3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C16H19BrN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161673 (1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nnc(s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-29(26,27)13-8-6-12(7-9-13)24(10-11-4-2-3-5-11)16(25)21-15-23-22-14(28-15)17(18,19)20/h6-9,11H,2-5,10H2,1H3,(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair

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