Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'yanagi' and Initial = 't'   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146559 (But-3-enoic acid (R)-1-acetoxymethyl-1-hydroxymeth...) Show SMILES CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OC(=O)CC=C Show InChI InChI=1S/C16H16O7/c1-3-5-13(19)22-12-7-4-6-11-14(12)15(20)23-16(11,8-17)9-21-10(2)18/h3-4,6-7,17H,1,5,8-9H2,2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146555 (Acetic acid (S)-4-decyloxy-1-hydroxymethyl-3-oxo-1...) Show SMILES CCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O Show InChI InChI=1S/C22H32O6/c1-3-4-5-6-7-8-9-10-14-26-19-13-11-12-18-20(19)21(25)28-22(18,15-23)16-27-17(2)24/h11-13,23H,3-10,14-16H2,1-2H3/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146558 (2,2-Dimethyl-propionic acid (S)-4-dodecyloxy-1-hyd...) Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(=O)C(C)(C)C Show InChI InChI=1S/C27H42O6/c1-5-6-7-8-9-10-11-12-13-14-18-31-22-17-15-16-21-23(22)24(29)33-27(21,19-28)20-32-25(30)26(2,3)4/h15-17,28H,5-14,18-20H2,1-4H3/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146556 (Acetic acid (R)-4-decyloxy-1-hydroxymethyl-3-oxo-1...) Show SMILES CCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O Show InChI InChI=1S/C22H32O6/c1-3-4-5-6-7-8-9-10-14-26-19-13-11-12-18-20(19)21(25)28-22(18,15-23)16-27-17(2)24/h11-13,23H,3-10,14-16H2,1-2H3/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146554 (CHEMBL102042 | Octanoic acid (S)-2-acetoxy-3-hydro...) Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(C)=O Show InChI InChI=1S/C13H24O5/c1-3-4-5-6-7-8-13(16)17-10-12(9-14)18-11(2)15/h12,14H,3-10H2,1-2H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146561 (Acetic acid (R)-4-dodecyloxy-1-hydroxymethyl-3-oxo...) Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O Show InChI InChI=1S/C24H36O6/c1-3-4-5-6-7-8-9-10-11-12-16-28-21-15-13-14-20-22(21)23(27)30-24(20,17-25)18-29-19(2)26/h13-15,25H,3-12,16-18H2,1-2H3/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146560 (Acetic acid (S)-4-dodecyloxy-1-hydroxymethyl-3-oxo...) Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O Show InChI InChI=1S/C24H36O6/c1-3-4-5-6-7-8-9-10-11-12-16-28-21-15-13-14-20-22(21)23(27)30-24(20,17-25)18-29-19(2)26/h13-15,25H,3-12,16-18H2,1-2H3/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50146557 (Acetic acid (R)-4-benzyloxy-1-hydroxymethyl-3-oxo-...) Show SMILES CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OCc1ccccc1 Show InChI InChI=1S/C19H18O6/c1-13(21)24-12-19(11-20)15-8-5-9-16(17(15)18(22)25-19)23-10-14-6-3-2-4-7-14/h2-9,20H,10-12H2,1H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Binding affinity for protein kinase C alpha				Bioorg Med Chem Lett 14: 2963-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.097 BindingDB Entry DOI: 10.7270/Q2GB23GP
					More data for this Ligand-Target Pair
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
Lanosterol synthase (Homo sapiens (Human))	BDBM50128065 (CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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
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
Lanosterol synthase (Homo sapiens (Human))	BDBM50456340 (CHEMBL4207987) Show SMILES Cl.Cl.CN(CC=C)Cc1ccc(cc1)N1CCC(CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H30ClN3O2S/c1-4-15-25(2)18-19-5-9-22(10-6-19)27-16-13-21(14-17-27)26(3)30(28,29)23-11-7-20(24)8-12-23/h4-12,21H,1,13-18H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					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
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)	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
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
Lanosterol synthase (Homo sapiens (Human))	BDBM50456341 (CHEMBL4212932) Show SMILES Cl.CN(C)CCOc1ccc(OC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H27FN2O4S/c1-23(2)15-16-27-18-5-7-19(8-6-18)28-20-11-13-24(14-12-20)29(25,26)21-9-3-17(22)4-10-21/h3-10,20H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263987 (CHEMBL4086307) Show SMILES [H][C@@]12Cc3ccccc3N1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C44H52N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-5,8-10,12,14-19,22,32-34,36-37,55H,6-7,11,13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t32-,33+,34-,36-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50456342 (CHEMBL4210513) Show SMILES Cl.Cl.CN(C)Cc1ccc(cc1)N1CCC(CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClN3O2S/c1-23(2)16-17-4-8-20(9-5-17)25-14-12-19(13-15-25)24(3)28(26,27)21-10-6-18(22)7-11-21/h4-11,19H,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263973 (CHEMBL4088071) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C37H46N8O6S/c1-44-30(8-4-16-40-37(38)39)33(48)42-28(20-23-10-13-24-6-2-3-7-25(24)18-23)36(51)45-17-5-9-31(45)34(49)41-27(19-22-11-14-26(46)15-12-22)32(47)43-29(21-52)35(44)50/h2-3,6-7,10-15,18,27-31,46,52H,4-5,8-9,16-17,19-21H2,1H3,(H,41,49)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263986 (CHEMBL4102699) Show SMILES [H][C@]12C[C@]3([H])N(C(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc4ccc(O)cc4)NC3=O)[C@@]1([H])CCCC2 |r| Show InChI InChI=1S/C44H58N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-3,8-9,14-19,22,30,32-37,55H,4-7,10-13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t30-,32-,33+,34-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264057 (CHEMBL4083207) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1F)NC2=O |r| Show InChI InChI=1S/C40H51FN10O6/c1-50-32(14-7-19-46-40(44)57)35(53)49-31(22-24-16-17-25-9-2-3-10-26(25)21-24)38(56)51-20-8-15-33(51)36(54)48-30(23-27-11-4-5-12-28(27)41)34(52)47-29(37(50)55)13-6-18-45-39(42)43/h2-5,9-12,16-17,21,29-33H,6-8,13-15,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263941 (CHEMBL4092022) Show SMILES CN1[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccccc2F)C(=O)N[C@@H](CCCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C51H62FN11O5/c1-62-43(23-10-12-27-58-51(55)56)46(65)61-42(29-32-24-25-33-14-3-4-16-35(33)28-32)49(68)63(2)44(31-36-19-13-18-34-15-5-7-20-38(34)36)47(66)60-41(30-37-17-6-8-21-39(37)52)45(64)59-40(48(62)67)22-9-11-26-57-50(53)54/h3-8,13-21,24-25,28,40-44H,9-12,22-23,26-27,29-31H2,1-2H3,(H,59,64)(H,60,66)(H,61,65)(H4,53,54,57)(H4,55,56,58)/t40-,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264098 (CHEMBL4101089) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C47H57N11O7/c1-57-39(14-8-22-52-47(50)65)42(61)56-38(25-29-15-18-30-9-3-4-10-31(30)23-29)45(64)58(2)40(26-32-27-53-35-12-6-5-11-34(32)35)43(62)55-37(24-28-16-19-33(59)20-17-28)41(60)54-36(44(57)63)13-7-21-51-46(48)49/h3-6,9-12,15-20,23,27,36-40,53,59H,7-8,13-14,21-22,24-26H2,1-2H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t36-,37+,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263985 (CHEMBL4078445) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1csc3ccccc13)NC2=O |r| Show InChI InChI=1S/C42H52N10O6S/c1-51-33(13-7-19-47-42(45)58)37(54)50-32(22-25-16-17-26-9-2-3-10-27(26)21-25)40(57)52-20-8-14-34(52)38(55)49-31(23-28-24-59-35-15-5-4-11-29(28)35)36(53)48-30(39(51)56)12-6-18-46-41(43)44/h2-5,9-11,15-17,21,24,30-34H,6-8,12-14,18-20,22-23H2,1H3,(H,48,53)(H,49,55)(H,50,54)(H4,43,44,46)(H3,45,47,58)/t30-,31+,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263977 (CHEMBL4071724) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C41H55N11O6/c1-51-33(11-4-5-19-46-40(42)43)36(55)50-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(58)52-21-7-12-34(52)37(56)49-31(23-25-14-17-29(53)18-15-25)35(54)48-30(38(51)57)10-6-20-47-41(44)45/h2-3,8-9,13-18,22,30-34,53H,4-7,10-12,19-21,23-24H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H4,42,43,46)(H4,44,45,47)/t30-,31+,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263992 (CHEMBL4077750) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C45H56N10O7/c1-54-37(15-9-23-50-45(48)62)40(58)53-36(26-30-16-19-31-12-6-7-13-32(31)24-30)43(61)55(2)38(27-28-10-4-3-5-11-28)41(59)52-35(25-29-17-20-33(56)21-18-29)39(57)51-34(42(54)60)14-8-22-49-44(46)47/h3-7,10-13,16-21,24,34-38,56H,8-9,14-15,22-23,25-27H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)(H4,46,47,49)(H3,48,50,62)/t34-,35+,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263984 (CHEMBL4067542) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O |r| Show InChI InChI=1S/C44H54N10O6/c1-53-36(14-7-21-49-44(47)60)39(56)52-35(26-28-17-19-30-10-3-5-12-32(30)24-28)42(59)54-22-8-15-37(54)40(57)51-34(25-27-16-18-29-9-2-4-11-31(29)23-27)38(55)50-33(41(53)58)13-6-20-48-43(45)46/h2-5,9-12,16-19,23-24,33-37H,6-8,13-15,20-22,25-26H2,1H3,(H,50,55)(H,51,57)(H,52,56)(H4,45,46,48)(H3,47,49,60)/t33-,34+,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263982 (CHEMBL4102492) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC2=O |r| Show InChI InChI=1S/C40H51BrN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263983 (CHEMBL4074806) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC2=O |r| Show InChI InChI=1S/C47H56N10O7/c1-56-38(15-8-24-52-47(50)64)42(60)55-37(28-30-19-20-31-10-5-6-13-34(31)26-30)45(63)57-25-9-16-39(57)43(61)54-36(41(59)53-35(44(56)62)14-7-23-51-46(48)49)27-29-17-21-33(22-18-29)40(58)32-11-3-2-4-12-32/h2-6,10-13,17-22,26,35-39H,7-9,14-16,23-25,27-28H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264062 (CHEMBL4077860) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC2=O |r| Show InChI InChI=1S/C40H51ClN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50092206 (CHEMBL3581276) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263962 (CHEMBL4059795) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C41H55N11O6/c1-51-33(11-6-20-47-41(44)45)36(55)50-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(58)52-21-7-12-34(52)37(56)49-31(23-25-14-17-29(53)18-15-25)35(54)48-30(38(51)57)10-4-5-19-46-40(42)43/h2-3,8-9,13-18,22,30-34,53H,4-7,10-12,19-21,23-24H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H4,42,43,46)(H4,44,45,47)/t30-,31+,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264006 (CHEMBL4090573) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C46H55N11O7/c1-57-39(13-7-21-51-46(49)64)43(62)56-37(24-28-14-17-29-8-2-3-9-30(29)22-28)41(60)55-38(25-31-26-52-34-11-5-4-10-33(31)34)42(61)54-36(23-27-15-18-32(58)19-16-27)40(59)53-35(44(57)63)12-6-20-50-45(47)48/h2-5,8-11,14-19,22,26,35-39,52,58H,6-7,12-13,20-21,23-25H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H,56,62)(H4,47,48,50)(H3,49,51,64)/t35-,36+,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50092206 (CHEMBL3581276) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264004 (CHEMBL4071592) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2csc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C47H56N10O7S/c1-56-38(13-8-22-52-47(50)64)42(60)55-37(25-29-15-18-30-9-3-4-10-31(30)23-29)45(63)57(2)39(26-32-27-65-40-14-6-5-11-34(32)40)43(61)54-36(24-28-16-19-33(58)20-17-28)41(59)53-35(44(56)62)12-7-21-51-46(48)49/h3-6,9-11,14-20,23,27,35-39,58H,7-8,12-13,21-22,24-26H2,1-2H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263978 (CHEMBL4072745) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC2=O |r| Show InChI InChI=1S/C40H52N10O6/c1-49-32(15-8-20-45-40(43)56)35(52)48-31(24-26-17-18-27-12-5-6-13-28(27)22-26)38(55)50-21-9-16-33(50)36(53)47-30(23-25-10-3-2-4-11-25)34(51)46-29(37(49)54)14-7-19-44-39(41)42/h2-6,10-13,17-18,22,29-33H,7-9,14-16,19-21,23-24H2,1H3,(H,46,51)(H,47,53)(H,48,52)(H4,41,42,44)(H3,43,45,56)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement as...				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263981 (CHEMBL4102116) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(F)cc1)NC2=O |r| Show InChI InChI=1S/C40H51FN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263976 (CHEMBL4063107) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCN)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C39H51N9O6/c1-47-32(10-4-18-40)35(51)46-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(54)48-20-6-11-33(48)36(52)45-30(22-24-13-16-28(49)17-14-24)34(50)44-29(37(47)53)9-5-19-43-39(41)42/h2-3,7-8,12-17,21,29-33,49H,4-6,9-11,18-20,22-23,40H2,1H3,(H,44,50)(H,45,52)(H,46,51)(H4,41,42,43)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair

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