Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'guthikonda' and Initial = 'rn'   

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))	BDBM50148285 (2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-yl...) Show SMILES OC(=O)C(CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2S/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29?,30?/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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50148286 (2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-yl...) Show SMILES OC(=O)C(CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 Show InChI InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28?,29?/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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249465 ((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(30(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)31-21-35-32(40-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,30+,33+/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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249467 ((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H41N3O3/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404275 (CHEMBL2112559) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H42N4O2/c38-33(39)31(18-24-10-7-11-24)37-22-28(29(23-37)26-12-5-2-6-13-26)21-36-16-14-27(15-17-36)30-20-34-32(35-30)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-29,31H,7,10-11,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249334 ((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...) Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H39N3O2S/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404276 (CHEMBL2112558) Show SMILES CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H45FN4O2/c1-2-31-34(38-33(37-31)19-25-8-4-3-5-9-25)26-14-16-39(17-15-26)21-28-22-40(32(35(41)42)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,37,38)(H,41,42)/t28-,30+,32+/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	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404274 (CHEMBL2112557) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C33H40ClFN4O2/c34-32-31(36-30(37-32)17-23-6-2-1-3-7-23)24-12-14-38(15-13-24)19-26-20-39(29(33(40)41)16-22-8-4-9-22)21-28(26)25-10-5-11-27(35)18-25/h1-3,5-7,10-11,18,22,24,26,28-29H,4,8-9,12-17,19-21H2,(H,36,37)(H,40,41)/t26-,28+,29+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249302 ((R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)pi...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404272 (CHEMBL2112552) Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C32H38ClFN4O2/c33-31-30(35-29(36-31)16-21-5-2-1-3-6-21)23-11-13-37(14-12-23)18-25-19-38(28(32(39)40)15-22-9-10-22)20-27(25)24-7-4-8-26(34)17-24/h1-8,17,22-23,25,27-28H,9-16,18-20H2,(H,35,36)(H,39,40)/t25-,27+,28+/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404278 (CHEMBL2112560) Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H40N4O2/c37-32(38)30(17-24-11-12-24)36-21-27(28(22-36)25-9-5-2-6-10-25)20-35-15-13-26(14-16-35)29-19-33-31(34-29)18-23-7-3-1-4-8-23/h1-10,19,24,26-28,30H,11-18,20-22H2,(H,33,34)(H,37,38)/t27-,28+,30+/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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404277 (CHEMBL2112553) Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H44FN3O2S/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,32+/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	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404273 (CHEMBL2112556) Show SMILES CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H44FN3O3/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,32+/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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50105510 (Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-m...) Show SMILES CN(C[C@@](C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H42N4O6S/c1-4-22-37(33(39)44-26-28-15-17-31(18-16-28)38(40)41)30-19-23-36(24-20-30)25-21-34(2,29-11-7-5-8-12-29)27-35(3)45(42,43)32-13-9-6-10-14-32/h4-18,30H,1,19-27H2,2-3H3/t34-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404280 (CHEMBL2112555) Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 Show InChI InChI=1S/C33H42FN3O2S/c1-4-29-32(40-30(35-29)17-23-9-6-5-7-10-23)24-13-15-36(16-14-24)19-26-20-37(31(22(2)3)33(38)39)21-28(26)25-11-8-12-27(34)18-25/h5-12,18,22,24,26,28,31H,4,13-17,19-21H2,1-3H3,(H,38,39)/t26-,28+,31+/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50404279 (CHEMBL2112554) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(n2)-c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2S/c37-33(38)31(26-12-6-2-7-13-26)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-25(17-19-35)30-23-39-32(34-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,23,25-26,28-29,31H,2,6-7,12-13,16-22H2,(H,37,38)/t28-,29+,31+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249303 ((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperid...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249304 ((R)-2-((3S,4S)-3-((4-(5-benzyloxazol-2-yl)piperidi...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249466 ((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...) Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160674 (5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phe...) Show SMILES CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249430 ((R)-2-((3S,4S)-3-((4-(5-benzylthiazol-2-yl)piperid...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104235 (CHEMBL85086 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...) Show SMILES CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H41N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160678 (5-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...) Show SMILES CN(C[C@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3/t27?,31?,33-/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249333 ((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...) Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H39N3O3/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160682 (CHEMBL180274 | N-Methyl-N-{(S)-2-methyl-4-[1-(4-ni...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249429 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(2-phen...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc([nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H42N4O2/c38-33(39)31(26-12-6-2-7-13-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-25(17-19-36)30-20-34-32(35-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,20,25-26,28-29,31H,2,6-7,12-13,16-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160679 (CHEMBL426048 | N-Methyl-N-[(S)-2-methyl-2-phenyl-4...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(25-35)18-22-36(31)32(37)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249332 ((R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)pi...) Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H40N4O2/c1-22(2)30(31(36)37)35-20-26(27(21-35)24-11-7-4-8-12-24)19-34-15-13-25(14-16-34)28-18-32-29(33-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,32,33)(H,36,37)/t26-,27+,30+/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160683 (5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O4S/c1-33(29-14-8-4-9-15-29,26-34(2)41(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(24-35)18-22-36(31)32(37)40-25-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160675 (CHEMBL361585 | N-[(S)-4-(1-Benzyl-2-oxo-octahydro-...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)21-23-35-22-20-31-28(25-35)18-19-32(37)36(31)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160677 (5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3/t24?,27?,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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50164777 ((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...) Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4| Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,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	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50164777 ((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...) Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4| Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,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	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062133 (4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...) Show SMILES CC1CCN=C(N)C1 |t:4| Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160684 (5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-b...) Show SMILES CN(C[C@@H](CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)36-28(33)32-20-16-25-22-31(19-17-27(25)32)18-15-24(23-11-7-5-8-12-23)21-30(4)37(34,35)26-13-9-6-10-14-26/h5-14,24-25,27H,15-22H2,1-4H3/t24-,25?,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	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249395 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(3-phen...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(no2)-c2ccccc2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-22-28(29(23-36)24-10-4-1-5-11-24)21-35-18-16-26(17-19-35)31-20-30(34-39-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,32H,3,8-9,14-19,21-23H2,(H,37,38)/t28-,29+,32+/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50066778 (5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...) Show SMILES CCC1N=C(N)CC1C |t:3| Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against Inducible nitric oxide synthase				Bioorg Med Chem Lett 14: 4539-44 (2004) Article DOI: 10.1016/j.bmcl.2004.06.033 BindingDB Entry DOI: 10.7270/Q218377V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160681 (5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phe...) Show SMILES CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160681 (5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phe...) Show SMILES CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50164782 ((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...) Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4| Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,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	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249428 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phen...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nc(c[nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H42N4O2/c38-33(39)31(26-14-8-3-9-15-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-27(17-19-36)32-34-20-30(35-32)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,31H,3,8-9,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50249396 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phen...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nocc2-c2ccccc2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-26(17-19-35)31-30(23-39-34-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,23,26-29,32H,3,8-9,14-22H2,(H,37,38)/t28-,29+,32+/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 14: 3419-24 (2004) Article DOI: 10.1016/j.bmcl.2004.04.078 BindingDB Entry DOI: 10.7270/Q2X63MD1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160676 (CHEMBL182188 | N-Methyl-N-[(S)-2-methyl-4-(1-methy...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H37N3O3S/c1-27(23-10-6-4-7-11-23,21-28(2)34(32,33)24-12-8-5-9-13-24)17-19-30-18-16-25-22(20-30)14-15-26(31)29(25)3/h4-13,22,25H,14-21H2,1-3H3/t22?,25?,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	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50164777 ((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...) Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4| Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50164777 ((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...) Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4| Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160688 (CHEMBL359752 | N-Methyl-N-{(S)-4-[4-((R)-2-oxo-5-p...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)N1C[C@H](OC1=O)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,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	31.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50164784 ((4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-yliden...) Show SMILES C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4| Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m0/s1	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50160685 (CHEMBL178337 | N-Methyl-N-{(S)-4-[4-((R)-4-methyl-...) Show SMILES C[C@H]1[C@H](OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C32H39N3O4S/c1-25-31(27-14-8-4-9-15-27)39-32(36)35(25)29-19-22-34(23-20-29)21-18-28(26-12-6-3-7-13-26)24-33(2)40(37,38)30-16-10-5-11-17-30/h3-17,25,28-29,31H,18-24H2,1-2H3/t25-,28+,31-/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	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062133 (4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...) Show SMILES CC1CCN=C(N)C1 |t:4| Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50164779 ((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...) Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4| Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,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	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 15: 1997-2001 (2005) Article DOI: 10.1016/j.bmcl.2005.02.067 BindingDB Entry DOI: 10.7270/Q2XK8F3M
					More data for this Ligand-Target Pair

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