Compile Data Set for Download or QSAR

Found 505 hits with Last Name = 'miller' and Initial = 'md'   

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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370476 (Combivir | ZIDOVUDINE TRIPHOSPHATE) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370476 (Combivir | ZIDOVUDINE TRIPHOSPHATE) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478973 (CHEMBL1162283) Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OP(O)(O)=O |r| Show InChI InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50367389 (CHEMBL605602) Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9+,11-,12+,13-,14+,15?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50367389 (CHEMBL605602) Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9+,11-,12+,13-,14+,15?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478974 (CHEMBL1162284) Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N8O14P4/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(29-7)2-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h3-7H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,11,13,14)(H2,19,20,21)/t5-,6+,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478973 (CHEMBL1162283) Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OP(O)(O)=O |r| Show InChI InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478974 (CHEMBL1162284) Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N8O14P4/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(29-7)2-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h3-7H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,11,13,14)(H2,19,20,21)/t5-,6+,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50370187 (CHEMBL608195) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(\C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6-/t18-,22-,23-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369298 (CHEMBL605601) Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H25F2N7O13P2S/c21-20(22,43(35,36)39-1-7-10(30)12(32)14(41-7)18-28-6(3-45-18)16(24)34)44(37,38)40-2-8-11(31)13(33)19(42-8)29-5-27-9-15(23)25-4-26-17(9)29/h3-5,7-8,10-14,19,30-33H,1-2H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t7-,8+,10-,11+,12-,13+,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369298 (CHEMBL605601) Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H25F2N7O13P2S/c21-20(22,43(35,36)39-1-7-10(30)12(32)14(41-7)18-28-6(3-45-18)16(24)34)44(37,38)40-2-8-11(31)13(33)19(42-8)29-5-27-9-15(23)25-4-26-17(9)29/h3-5,7-8,10-14,19,30-33H,1-2H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t7-,8+,10-,11+,12-,13+,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50370187 (CHEMBL608195) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(\C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6-/t18-,22-,23-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141931 ((R)-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2...) Show SMILES CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C42H51FN4O2/c1-2-47-40(26-38(44-47)24-30-16-18-32(19-17-30)31-10-5-3-6-11-31)33-20-22-45(23-21-33)27-36-28-46(29-39(36)35-14-9-15-37(43)25-35)41(42(48)49)34-12-7-4-8-13-34/h3,5-6,9-11,14-19,25-26,33-34,36,39,41H,2,4,7-8,12-13,20-24,27-29H2,1H3,(H,48,49)/t36-,39+,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50108912 (CHEMBL162782 | {Hydroxy-[2-(4-hydroxy-6-methoxy-7-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/C13H18O10P2/c1-7-9-5-22-13(15)10(9)11(14)8(12(7)21-2)3-4-23-25(19,20)6-24(16,17)18/h14H,3-6H2,1-2H3,(H,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50108910 (CHEMBL348359 | {Hydroxy-[2-(4-hydroxy-6-methoxy-7-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OCCc1c(O)c2C(=O)OCc2c(C)c1OC Show InChI InChI=1S/C25H30O14P2/c1-12-16-9-36-24(28)18(16)20(26)14(22(12)34-3)5-7-38-40(30,31)11-41(32,33)39-8-6-15-21(27)19-17(10-37-25(19)29)13(2)23(15)35-4/h26-27H,5-11H2,1-4H3,(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50370188 (CHEMBL608194) Show SMILES NC(=O)c1cccc(c1)C1OC(COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H30N6O13P2/c24-20-14-22(27-7-26-20)29(8-28-14)23-18(33)16(31)13(42-23)6-40-44(37,38)9-43(35,36)39-5-12-15(30)17(32)19(41-12)10-2-1-3-11(4-10)21(25)34/h1-4,7-8,12-13,15-19,23,30-33H,5-6,9H2,(H2,25,34)(H,35,36)(H,37,38)(H2,24,26,27)/t12?,13-,15+,16-,17+,18-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50108912 (CHEMBL162782 | {Hydroxy-[2-(4-hydroxy-6-methoxy-7-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/C13H18O10P2/c1-7-9-5-22-13(15)10(9)11(14)8(12(7)21-2)3-4-23-25(19,20)6-24(16,17)18/h14H,3-6H2,1-2H3,(H,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50370188 (CHEMBL608194) Show SMILES NC(=O)c1cccc(c1)C1OC(COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H30N6O13P2/c24-20-14-22(27-7-26-20)29(8-28-14)23-18(33)16(31)13(42-23)6-40-44(37,38)9-43(35,36)39-5-12-15(30)17(32)19(41-12)10-2-1-3-11(4-10)21(25)34/h1-4,7-8,12-13,15-19,23,30-33H,5-6,9H2,(H2,25,34)(H,35,36)(H,37,38)(H2,24,26,27)/t12?,13-,15+,16-,17+,18-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141911 ((R)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H...) Show SMILES CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-9-11-25(20-37)12-10-24)26-13-15-39(16-14-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-7-6-8-29(36)18-27/h6-12,18-19,26,28,31,33H,5,13-17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141908 ((R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butyl-benzyl)-2-eth...) Show SMILES CCn1nc(Cc2ccc(cc2)C(C)(C)C)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C38H53FN4O2/c1-8-43-34(22-32(40-43)20-26-12-14-30(15-13-26)37(2,3)4)27-16-18-41(19-17-27)23-29-24-42(35(36(44)45)38(5,6)7)25-33(29)28-10-9-11-31(39)21-28/h9-15,21-22,27,29,33,35H,8,16-20,23-25H2,1-7H3,(H,44,45)/t29-,33+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50108910 (CHEMBL348359 | {Hydroxy-[2-(4-hydroxy-6-methoxy-7-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OCCc1c(O)c2C(=O)OCc2c(C)c1OC Show InChI InChI=1S/C25H30O14P2/c1-12-16-9-36-24(28)18(16)20(26)14(22(12)34-3)5-7-38-40(30,31)11-41(32,33)39-8-6-15-21(27)19-17(10-37-25(19)29)13(2)23(15)35-4/h26-27H,5-11H2,1-4H3,(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmasset Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)				J Med Chem 45: 703-12 (2002) BindingDB Entry DOI: 10.7270/Q29S1RS4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141905 ((R)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl...) Show SMILES CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C40H49FN4O2/c1-5-45-37(24-35(42-45)22-28-14-16-30(17-15-28)29-10-7-6-8-11-29)31-18-20-43(21-19-31)25-33-26-44(38(39(46)47)40(2,3)4)27-36(33)32-12-9-13-34(41)23-32/h6-17,23-24,31,33,36,38H,5,18-22,25-27H2,1-4H3,(H,46,47)/t33-,36+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141978 ((2R,4S)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-e...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)-c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C40H49FN4O2/c1-4-28(3)39(40(46)47)44-26-34(37(27-44)33-12-9-13-35(41)23-33)25-43-20-18-32(19-21-43)38-24-36(42-45(38)5-2)22-29-14-16-31(17-15-29)30-10-7-6-8-11-30/h6-17,23-24,28,32,34,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,34-,37+,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141935 ((2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-...) Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C38H51FN4O3/c1-4-26(3)37(38(44)45)42-24-30(35(25-42)29-8-6-9-31(39)21-29)23-41-18-16-28(17-19-41)36-22-32(40-43(36)5-2)20-27-12-14-34(15-13-27)46-33-10-7-11-33/h6,8-9,12-15,21-22,26,28,30,33,35,37H,4-5,7,10-11,16-20,23-25H2,1-3H3,(H,44,45)/t26-,30+,35-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141951 ((R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-et...) Show SMILES CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C38H51FN4O3/c1-5-43-35(22-31(40-43)20-26-12-14-33(15-13-26)46-32-10-7-11-32)27-16-18-41(19-17-27)23-29-24-42(36(37(44)45)38(2,3)4)25-34(29)28-8-6-9-30(39)21-28/h6,8-9,12-15,21-22,27,29,32,34,36H,5,7,10-11,16-20,23-25H2,1-4H3,(H,44,45)/t29-,34+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141913 ((2R,4S)-2-[(2S,3S)-3-(4-{2-Ethyl-5-[4-(2,2,2-trifl...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C36H46F4N4O3/c1-4-24(3)34(35(45)46)43-21-28(32(22-43)27-7-6-8-29(37)18-27)20-42-15-13-26(14-16-42)33-19-30(41-44(33)5-2)17-25-9-11-31(12-10-25)47-23-36(38,39)40/h6-12,18-19,24,26,28,32,34H,4-5,13-17,20-23H2,1-3H3,(H,45,46)/t24-,28-,32+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141941 ((2R,4R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-...) Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C38H53FN4O3/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-31(39)21-29)23-41-18-16-28(17-19-41)35-22-32(40-43(35)8-2)20-27-12-14-33(15-13-27)46-38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30+,34-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141906 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C38H51FN4O3/c1-4-26(3)37(38(44)45)42-24-30(35(25-42)29-8-6-9-31(39)21-29)23-41-18-16-28(17-19-41)36-22-32(40-43(36)5-2)20-27-12-14-34(15-13-27)46-33-10-7-11-33/h6,8-9,12-15,21-22,26,28,30,33,35,37H,4-5,7,10-11,16-20,23-25H2,1-3H3,(H,44,45)/t26-,30-,35+,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141973 (2-[3-{4-[2-Ethyl-5-(4-trifluoromethoxy-benzyl)-2H-...) Show SMILES CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C35H44F4N4O3/c1-5-43-31(19-28(40-43)17-23-9-11-29(12-10-23)46-35(37,38)39)24-13-15-41(16-14-24)20-26-21-42(32(33(44)45)34(2,3)4)22-30(26)25-7-6-8-27(36)18-25/h6-12,18-19,24,26,30,32H,5,13-17,20-22H2,1-4H3,(H,44,45)/t26-,30+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141910 ((2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-isopropyl-be...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(C)C)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C37H51FN4O2/c1-6-26(5)36(37(43)44)41-23-31(34(24-41)30-9-8-10-32(38)20-30)22-40-17-15-29(16-18-40)35-21-33(39-42(35)7-2)19-27-11-13-28(14-12-27)25(3)4/h8-14,20-21,25-26,29,31,34,36H,6-7,15-19,22-24H2,1-5H3,(H,43,44)/t26-,31-,34+,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141979 ((R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-isopropoxy-benzy...) Show SMILES CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C37H51FN4O3/c1-7-42-34(21-31(39-42)19-26-11-13-32(14-12-26)45-25(2)3)27-15-17-40(18-16-27)22-29-23-41(35(36(43)44)37(4,5)6)24-33(29)28-9-8-10-30(38)20-28/h8-14,20-21,25,27,29,33,35H,7,15-19,22-24H2,1-6H3,(H,43,44)/t29-,33+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141984 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethy...) Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C35H44FN5O2/c1-4-24(3)34(35(42)43)40-22-29(32(23-40)28-7-6-8-30(36)18-28)21-39-15-13-27(14-16-39)33-19-31(38-41(33)5-2)17-25-9-11-26(20-37)12-10-25/h6-12,18-19,24,27,29,32,34H,4-5,13-17,21-23H2,1-3H3,(H,42,43)/t24-,29+,32-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141883 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 |r| Show InChI InChI=1S/C33H43FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h5-12,18-19,23,25,27,30,32H,4,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141972 ((R)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-2-et...) Show SMILES CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C36H49FN4O4/c1-7-41-31(20-29(38-41)17-24-11-12-32(44-5)33(18-24)45-6)25-13-15-39(16-14-25)21-27-22-40(34(35(42)43)36(2,3)4)23-30(27)26-9-8-10-28(37)19-26/h8-12,18-20,25,27,30,34H,7,13-17,21-23H2,1-6H3,(H,42,43)/t27-,30+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141874 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 |r| Show InChI InChI=1S/C34H45FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h6-13,19-20,25,27,30,32H,5,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141945 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-benzyl)-2-eth...) Show SMILES CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 Show InChI InChI=1S/C36H49FN4O3/c1-5-25(4)35(36(42)43)40-23-29(33(24-40)28-9-8-10-30(37)20-28)22-39-17-15-27(16-18-39)34-21-31(38-41(34)6-2)19-26-11-13-32(14-12-26)44-7-3/h8-14,20-21,25,27,29,33,35H,5-7,15-19,22-24H2,1-4H3,(H,42,43)/t25-,29-,33+,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141914 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C36H49FN4O4/c1-6-24(3)35(36(42)43)40-22-28(31(23-40)27-9-8-10-29(37)19-27)21-39-15-13-26(14-16-39)32-20-30(38-41(32)7-2)17-25-11-12-33(44-4)34(18-25)45-5/h8-12,18-20,24,26,28,31,35H,6-7,13-17,21-23H2,1-5H3,(H,42,43)/t24-,28-,31+,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141875 ((2R,3S)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyraz...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C34H45FN4O2/c1-4-24(3)33(34(40)41)38-22-28(31(23-38)27-12-9-13-29(35)19-27)21-37-16-14-26(15-17-37)32-20-30(36-39(32)5-2)18-25-10-7-6-8-11-25/h6-13,19-20,24,26,28,31,33H,4-5,14-18,21-23H2,1-3H3,(H,40,41)/t24-,28-,31+,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50141887 ((2R,4R)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-...) Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C36H49FN4O4/c1-6-24(3)35(36(42)43)40-22-28(31(23-40)27-9-8-10-29(37)19-27)21-39-15-13-26(14-16-39)32-20-30(38-41(32)7-2)17-25-11-12-33(44-4)34(18-25)45-5/h8-12,18-20,24,26,28,31,35H,6-7,13-17,21-23H2,1-5H3,(H,42,43)/t24-,28+,31-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50280116 (CHEMBL4177355) Show SMILES [H][C@@]12CN([C@@H](CCc3c(F)cncc3NC(=O)[C@@H](N)[C@@H](c3ccc(Cl)cc3)c3cc(F)cc(F)c3)CN1)S(=O)(=O)CCC2 |r| Show InChI InChI=1S/C29H31ClF3N5O3S/c30-19-5-3-17(4-6-19)27(18-10-20(31)12-21(32)11-18)28(34)29(39)37-26-15-35-14-25(33)24(26)8-7-23-13-36-22-2-1-9-42(40,41)38(23)16-22/h3-6,10-12,14-15,22-23,27-28,36H,1-2,7-9,13,16,34H2,(H,37,39)/t22-,23+,27+,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of GAR transformylase from Lactobacillus casei				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141946 ((2R,4R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-1-yl...) Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc4ccccc34)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-31(35(25-42)29-13-9-14-32(39)20-29)23-41-18-16-28(17-19-41)36-22-33(40-43(36)5-2)21-30-12-8-11-27-10-6-7-15-34(27)30/h6-15,20,22,26,28,31,35,37H,4-5,16-19,21,23-25H2,1-3H3,(H,44,45)/t26-,31+,35-,37-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141904 ((R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-2-ylmeth...) Show SMILES CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C38H47FN4O2/c1-5-43-35(22-33(40-43)20-26-13-14-27-9-6-7-10-29(27)19-26)28-15-17-41(18-16-28)23-31-24-42(36(37(44)45)38(2,3)4)25-34(31)30-11-8-12-32(39)21-30/h6-14,19,21-22,28,31,34,36H,5,15-18,20,23-25H2,1-4H3,(H,44,45)/t31-,34+,36-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50119336 (2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexa...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H46N2O2/c36-33(37)32(29-17-8-3-9-18-29)35-24-30(31(25-35)28-15-6-2-7-16-28)23-34-21-19-27(20-22-34)14-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,15-16,27,29-32H,3,8-10,13-14,17-25H2,(H,36,37)/t30-,31+,32+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141948 ((R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-1-ylmeth...) Show SMILES CCn1nc(Cc2cccc3ccccc23)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C38H47FN4O2/c1-5-43-35(22-32(40-43)21-29-12-8-11-26-10-6-7-15-33(26)29)27-16-18-41(19-17-27)23-30-24-42(36(37(44)45)38(2,3)4)25-34(30)28-13-9-14-31(39)20-28/h6-15,20,22,27,30,34,36H,5,16-19,21,23-25H2,1-4H3,(H,44,45)/t30-,34+,36-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 505 total )  |  Next  |  Last  >>

Jump to: