Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'murota' and Initial = 'm'   

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))	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxis				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of MIP-1alpha from human CCR5 expressed in CHO cells				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 assessed as inhibition of RANTES-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116670 ((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...) Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116676 (4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7| Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116676 (4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7| Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116673 (3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5| Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116673 (3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5| Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116670 ((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...) Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116675 (4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CN=C(N)C=C1C |c:6,t:3| Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116675 (4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CN=C(N)C=C1C |c:6,t:3| Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50237936 (4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...) Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2| Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350064 (CHEMBL1813435) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116677 ((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...) Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50237936 (4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...) Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2| Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350045 (CHEMBL1813270) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C32H43N3O5/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116669 (5,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1(C)CN=C(N)C=C1 |c:7,t:4| Show InChI InChI=1S/C7H12N2/c1-7(2)4-3-6(8)9-5-7/h3-4H,5H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350060 (CHEMBL1813433) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C32H44N4O6S/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350042 (CHEMBL1813450) Show SMILES CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350054 (CHEMBL1813440) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 |r| Show InChI InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/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	5.20E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350046 (CHEMBL1813269) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350061 (CHEMBL1813432) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C34H46N4O5/c1-3-4-20-38-32(41)29(30(39)25-8-6-5-7-9-25)36-33(42)34(38)18-21-37(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)31(40)35-2/h10-17,25,29-30,39H,3-9,18-23H2,1-2H3,(H,35,40)(H,36,42)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116677 ((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...) Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50198936 ((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50350047 (CHEMBL1813459) Show SMILES CCCCN1C(=O)C(NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)C(C)C Show InChI InChI=1S/C28H37N3O3/c1-4-5-17-31-26(32)25(21(2)3)29-27(33)28(31)15-18-30(19-16-28)20-22-11-13-24(14-12-22)34-23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350055 (CHEMBL1813439) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCC1 |r| Show InChI InChI=1S/C32H41N3O6/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/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	1.30E+4	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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350062 (CHEMBL1813447) Show SMILES CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C32H42N4O5/c1-3-36-30(39)27(28(37)23-7-5-4-6-8-23)34-31(40)32(36)17-19-35(20-18-32)21-22-9-13-25(14-10-22)41-26-15-11-24(12-16-26)29(38)33-2/h9-16,23,27-28,37H,3-8,17-21H2,1-2H3,(H,33,38)(H,34,40)/t27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350043 (CHEMBL1813449) Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	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 CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350037 (CHEMBL1813446) Show SMILES CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C31H39N3O6/c1-2-34-28(36)26(27(35)22-6-4-3-5-7-22)32-30(39)31(34)16-18-33(19-17-31)20-21-8-12-24(13-9-21)40-25-14-10-23(11-15-25)29(37)38/h8-15,22,26-27,35H,2-7,16-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350051 (CHEMBL1813443) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)| Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350056 (CHEMBL1813438) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC1 |r| Show InChI InChI=1S/C31H39N3O6/c1-2-3-17-34-28(36)26(27(35)22-5-4-6-22)32-30(39)31(34)15-18-33(19-16-31)20-21-7-11-24(12-8-21)40-25-13-9-23(10-14-25)29(37)38/h7-14,22,26-27,35H,2-6,15-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350064 (CHEMBL1813435) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350043 (CHEMBL1813449) Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Rattus norvegicus)	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat CCR5 assessed as inhibition of RANTES-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350041 (CHEMBL1813448) Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair

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