Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'hamanaka' and Initial = 'n'   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190513 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190525 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190516 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50095207 (CHEMBL430154 | [6-(4-Benzhydryl-pyrazol-1-ylmethyl...) Show SMILES OC(=O)COc1cccc2C=C(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12 |t:10| Show InChI InChI=1S/C29H26N2O3/c32-28(33)20-34-27-13-7-12-24-16-21(14-15-26(24)27)18-31-19-25(17-30-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,16-17,19,29H,14-15,18,20H2,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...				Bioorg Med Chem Lett 5: 1083-1086 (1995) Article DOI: 10.1016/0960-894X(95)00170-X BindingDB Entry DOI: 10.7270/Q22807KH
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284372 (CHEMBL11211 | {5-[2-(N',N'-Diphenyl-hydrazinocarbo...) Show SMILES OC(=O)COc1cccc2C(CCC(=O)NN(c3ccccc3)c3ccccc3)CCCc12 Show InChI InChI=1S/C27H28N2O4/c30-26(28-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22)18-17-20-9-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-6,8,10-14,16,20H,7,9,15,17-19H2,(H,28,30)(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay				Bioorg Med Chem Lett 5: 1077-1082 (1995) Article DOI: 10.1016/0960-894X(95)00169-T BindingDB Entry DOI: 10.7270/Q261108S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190521 (9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81947 (CAS_113243-00-8 | L-657926) Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r| Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81947 (CAS_113243-00-8 | L-657926) Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r| Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190524 (3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...) Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284377 (CHEMBL11746 | {5-[2-(4-Benzhydryl-pyrazol-1-yl)-et...) Show SMILES OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)CCCc12 Show InChI InChI=1S/C30H30N2O3/c33-29(34)21-35-28-16-8-14-26-22(13-7-15-27(26)28)17-18-32-20-25(19-31-32)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,8-12,14,16,19-20,22,30H,7,13,15,17-18,21H2,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...				Bioorg Med Chem Lett 5: 1083-1086 (1995) Article DOI: 10.1016/0960-894X(95)00170-X BindingDB Entry DOI: 10.7270/Q22807KH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190523 (1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284370 (CHEMBL10836 | [6-(N',N'-Diphenyl-hydrazinocarbonyl...) Show SMILES OC(=O)COc1cccc2CC(CC(=O)NN(c3ccccc3)c3ccccc3)CCc12 Show InChI InChI=1S/C26H26N2O4/c29-25(27-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)17-19-14-15-23-20(16-19)8-7-13-24(23)32-18-26(30)31/h1-13,19H,14-18H2,(H,27,29)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay				Bioorg Med Chem Lett 5: 1077-1082 (1995) Article DOI: 10.1016/0960-894X(95)00169-T BindingDB Entry DOI: 10.7270/Q261108S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190513 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets				Bioorg Med Chem Lett 5: 1065-1070 (1995) Article DOI: 10.1016/0960-894X(95)00167-R BindingDB Entry DOI: 10.7270/Q2FF3S9T
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50452544 (CHEMBL2448578) Show SMILES [H][C@]12CC[C@@]([H])(O1)[C@H](C\C=C/CCCC(O)=O)[C@@H]2CNNC(=O)Nc1ccccc1 |r,THB:18:17:6:2.3| Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284378 (CHEMBL11765 | [6-(4-Benzhydryl-pyrazol-1-ylmethyl)...) Show SMILES OC(=O)COc1cccc2CC(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12 Show InChI InChI=1S/C29H28N2O3/c32-28(33)20-34-27-13-7-12-24-16-21(14-15-26(24)27)18-31-19-25(17-30-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,17,19,21,29H,14-16,18,20H2,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...				Bioorg Med Chem Lett 5: 1083-1086 (1995) Article DOI: 10.1016/0960-894X(95)00170-X BindingDB Entry DOI: 10.7270/Q22807KH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested in vitro against Human neutrophil elastase				Bioorg Med Chem Lett 12: 2349-53 (2002) BindingDB Entry DOI: 10.7270/Q2BK1BNM
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM82512 (CAS_128719-90-4 | I-BOP) Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15| Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190521 (9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190520 ((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190525 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190520 ((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284366 ((6-{2-[(E)-Benzhydryloxyimino]-butyl}-5,6,7,8-tetr...) Show SMILES CC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31NO4/c1-2-25(30-34-29(22-10-5-3-6-11-22)23-12-7-4-8-13-23)19-21-16-17-26-24(18-21)14-9-15-27(26)33-20-28(31)32/h3-15,21,29H,2,16-20H2,1H3,(H,31,32)/b30-25+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50095205 ((6-{2-[(E)-Benzhydryloxyimino]-pentyl}-5,6,7,8-tet...) Show SMILES CCC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33NO4/c1-2-10-26(31-35-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24)20-22-17-18-27-25(19-22)15-9-16-28(27)34-21-29(32)33/h3-9,11-16,22,30H,2,10,17-21H2,1H3,(H,32,33)/b31-26+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190516 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190523 (1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50190513 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to sigma receptor				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284371 (CHEMBL11291 | [5-(2-Benzhydrylideneaminooxy-ethyl)...) Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6](-[#6]-[#6]-[#8]\[#7]=[#6](/c3ccccc3)-c3ccccc3)-[#6]-[#6]-[#6]-c12 Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-16-8-14-23-20(13-7-15-24(23)25)17-18-32-28-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-12,14,16,20H,7,13,15,17-19H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay				Bioorg Med Chem Lett 5: 1077-1082 (1995) Article DOI: 10.1016/0960-894X(95)00169-T BindingDB Entry DOI: 10.7270/Q261108S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284367 (((S)-6-{2-[(E)-Benzhydryloxyimino]-propyl}-5,6,7,8...) Show SMILES C\C(C[C@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-20(29-33-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23)17-21-15-16-25-24(18-21)13-8-14-26(25)32-19-27(30)31/h2-14,21,28H,15-19H2,1H3,(H,30,31)/b29-20+/t21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190515 ((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190519 ((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284363 (((R)-6-{2-[(E)-Benzhydryloxyimino]-propyl}-5,6,7,8...) Show SMILES C\C(C[C@@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-20(29-33-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23)17-21-15-16-25-24(18-21)13-8-14-26(25)32-19-27(30)31/h2-14,21,28H,15-19H2,1H3,(H,30,31)/b29-20+/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284374 (CHEMBL266622 | [5-(3-Benzhydryloxy-propyl)-5,6,7,8...) Show SMILES OC(=O)COc1cccc2C(CCCOC(c3ccccc3)c3ccccc3)CCCc12 Show InChI InChI=1S/C28H30O4/c29-27(30)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-31-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18,21,28H,7,9,14-15,17,19-20H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay				Bioorg Med Chem Lett 5: 1077-1082 (1995) Article DOI: 10.1016/0960-894X(95)00169-T BindingDB Entry DOI: 10.7270/Q261108S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190524 (3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...) Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190522 ((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284355 (CHEMBL10470 | [5-(3-Benzhydryloxyimino-propyl)-5,6...) Show SMILES OC(=O)COc1cccc2C(CC\C=N\OC(c3ccccc3)c3ccccc3)CCCc12 Show InChI InChI=1S/C28H29NO4/c30-27(31)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-29-33-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18-19,21,28H,7,9,14-15,17,20H2,(H,30,31)/b29-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets				Bioorg Med Chem Lett 5: 1065-1070 (1995) Article DOI: 10.1016/0960-894X(95)00167-R BindingDB Entry DOI: 10.7270/Q2FF3S9T
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284355 (CHEMBL10470 | [5-(3-Benzhydryloxyimino-propyl)-5,6...) Show SMILES OC(=O)COc1cccc2C(CC\C=N\OC(c3ccccc3)c3ccccc3)CCCc12 Show InChI InChI=1S/C28H29NO4/c30-27(31)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-29-33-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18-19,21,28H,7,9,14-15,17,20H2,(H,30,31)/b29-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190519 ((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284360 (CHEMBL10742 | [6-(2-Benzhydryloxyimino-ethyl)-5,6,...) Show SMILES OC(=O)COc1cccc2CC(C\C=N\OC(c3ccccc3)c3ccccc3)CCc12 Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-28-32-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,17,20,27H,14-16,18-19H2,(H,29,30)/b28-17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284360 (CHEMBL10742 | [6-(2-Benzhydryloxyimino-ethyl)-5,6,...) Show SMILES OC(=O)COc1cccc2CC(C\C=N\OC(c3ccccc3)c3ccccc3)CCc12 Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-28-32-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,17,20,27H,14-16,18-19H2,(H,29,30)/b28-17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets				Bioorg Med Chem Lett 5: 1065-1070 (1995) Article DOI: 10.1016/0960-894X(95)00167-R BindingDB Entry DOI: 10.7270/Q2FF3S9T
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190515 ((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190522 ((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50101853 ((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284376 (CHEMBL11480 | {5-[2-(4-Benzhydryl-pyrazol-1-yl)-et...) Show SMILES OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)=CCCc12 |c:33| Show InChI InChI=1S/C30H28N2O3/c33-29(34)21-35-28-16-8-14-26-22(13-7-15-27(26)28)17-18-32-20-25(19-31-32)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,8-14,16,19-20,30H,7,15,17-18,21H2,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...				Bioorg Med Chem Lett 5: 1083-1086 (1995) Article DOI: 10.1016/0960-894X(95)00170-X BindingDB Entry DOI: 10.7270/Q22807KH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190514 ((3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50190513 ((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...) Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50284365 ((5-{3-[(E)-Benzhydryloxyimino]-hexyl}-5,6,7,8-tetr...) Show SMILES CCC\C(CCC1CCCc2c(OCC(O)=O)cccc12)=N/OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO4/c1-2-11-26(32-36-31(24-12-5-3-6-13-24)25-14-7-4-8-15-25)21-20-23-16-9-18-28-27(23)17-10-19-29(28)35-22-30(33)34/h3-8,10,12-15,17,19,23,31H,2,9,11,16,18,20-22H2,1H3,(H,33,34)/b32-26+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets				Bioorg Med Chem Lett 5: 1071-1076 (1995) Article DOI: 10.1016/0960-894X(95)00168-S BindingDB Entry DOI: 10.7270/Q29P31MX
					More data for this Ligand-Target Pair

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