Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'franco' and Initial = 'e'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104934 (CHEMBL292625 | [4-(4-Bromo-phenylamino)-4'-methyl-...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 Show InChI InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143734 (3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 Show InChI InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50047259 (4-(1-(1H-imidazol-1-yl)vinyl)benzonitrile | 4-(1-I...) Show SMILES C=C(c1ccc(cc1)C#N)n1ccnc1 Show InChI InChI=1S/C12H9N3/c1-10(15-7-6-14-9-15)12-4-2-11(8-13)3-5-12/h2-7,9H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143736 ((2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143762 ((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromet...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143756 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143757 ((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143762 ((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromet...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143740 ((4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methy...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143761 (CHEMBL61466 | [4-(4-Chloro-phenylamino)-4'-methyl-...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143743 (CHEMBL61536 | [4-(Benzyl-phenyl-amino)-4'-methyl-[...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104934 (CHEMBL292625 | [4-(4-Bromo-phenylamino)-4'-methyl-...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 Show InChI InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143756 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143757 ((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143745 (CHEMBL60225 | {4-[Benzyl-(4-bromo-phenyl)-amino]-4...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 Show InChI InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143761 (CHEMBL61466 | [4-(4-Chloro-phenylamino)-4'-methyl-...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143735 ((2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143736 ((2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143734 (3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 Show InChI InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143747 ((4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-di...) Show SMILES Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314628 ((E)-N-Hydroxy-3-{4-[3-(2-methyl-1H-indol-3-yl)pyrr...) Show SMILES Cc1[nH]c2ccccc2c1C1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1 Show InChI InChI=1S/C23H25N3O2/c1-16-23(20-4-2-3-5-21(20)24-16)19-12-13-26(15-19)14-18-8-6-17(7-9-18)10-11-22(27)25-28/h2-11,19,24,28H,12-15H2,1H3,(H,25,27)/b11-10+	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143741 ((4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylami...) Show SMILES Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50047261 (5-(1H-imidazol-1-yl)-7,8-dihydronaphthalene-2-carb...) Show SMILES N#Cc1ccc2C(=CCCc2c1)n1ccnc1 |c:6| Show InChI InChI=1S/C14H11N3/c15-9-11-4-5-13-12(8-11)2-1-3-14(13)17-7-6-16-10-17/h3-8,10H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314637 ((E)-3-{4-[3-(2-tert-Butyl-1H-indol-3-yl)piperidin-...) Show SMILES CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1 Show InChI InChI=1S/C27H33N3O2/c1-27(2,3)26-25(22-8-4-5-9-23(22)28-26)21-7-6-16-30(18-21)17-20-12-10-19(11-13-20)14-15-24(31)29-32/h4-5,8-15,21,28,32H,6-7,16-18H2,1-3H3,(H,29,31)/b15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50066269 (CHEMBL3401541) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143764 ((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-[1,4'...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N4O/c1-23-13-18-31-24(2)29(23)30(35)33-21-14-25(15-22-33)32-19-16-28(17-20-32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,18,25,28H,14-17,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143740 ((4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methy...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314630 ((E)-N-Hydroxy-3-(4-{1-[2-(2-methyl-1H-indol-3-yl)e...) Show SMILES Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C24H27N3O2/c1-17-20(21-5-2-3-6-22(21)25-17)14-16-27-15-4-7-23(27)19-11-8-18(9-12-19)10-13-24(28)26-29/h2-3,5-6,8-13,23,25,29H,4,7,14-16H2,1H3,(H,26,28)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9920 ((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...) Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r| Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143750 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143750 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50047260 (4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1 Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143735 ((2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143754 ((4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-...) Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H37N3O/c1-34(21-25-35(26-22-34)33(38)32-18-10-12-27-11-8-9-17-31(27)32)36-23-19-30(20-24-36)37(28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-18,30H,19-26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143737 (4-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-7-5-4-6-8-29)24-28-11-9-27(23-34)10-12-28/h4-13,20,30H,14-19,21-22,24H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50427040 (CHEMBL2322207) Show SMILES COCCCCC1(CNC(=O)[C@@H]2CNC[C@@H](C2)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 56: 2196-206 (2013) Article DOI: 10.1021/jm301706j BindingDB Entry DOI: 10.7270/Q25X2B8Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50427040 (CHEMBL2322207) Show SMILES COCCCCC1(CNC(=O)[C@@H]2CNC[C@@H](C2)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched (RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...				J Med Chem 56: 2196-206 (2013) Article DOI: 10.1021/jm301706j BindingDB Entry DOI: 10.7270/Q25X2B8Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314627 ((E)-N-Hydroxy-3-{4-[3-(2-methyl-1H-indol-3-yl)pipe...) Show SMILES Cc1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1 Show InChI InChI=1S/C24H27N3O2/c1-17-24(21-6-2-3-7-22(21)25-17)20-5-4-14-27(16-20)15-19-10-8-18(9-11-19)12-13-23(28)26-29/h2-3,6-13,20,25,29H,4-5,14-16H2,1H3,(H,26,28)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143743 (CHEMBL61536 | [4-(Benzyl-phenyl-amino)-4'-methyl-[...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143745 (CHEMBL60225 | {4-[Benzyl-(4-bromo-phenyl)-amino]-4...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 Show InChI InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143764 ((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-[1,4'...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N4O/c1-23-13-18-31-24(2)29(23)30(35)33-21-14-25(15-22-33)32-19-16-28(17-20-32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,18,25,28H,14-17,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314642 ((E)-3-{4-[(R)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) Show SMILES CC(C)(C)c1[nH]c2ccccc2c1[C@H]1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2F)C1 |r| Show InChI InChI=1S/C27H32FN3O2/c1-27(2,3)26-25(21-8-4-5-9-23(21)29-26)20-7-6-14-31(17-20)16-19-12-10-18(15-22(19)28)11-13-24(32)30-33/h4-5,8-13,15,20,29,33H,6-7,14,16-17H2,1-3H3,(H,30,32)/b13-11+/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50047264 (4-((4-bromophenylimino)(1H-imidazol-1-yl)methyl)be...) Show SMILES Brc1ccc(cc1)\N=C(/c1ccc(cc1)C#N)n1ccnc1 Show InChI InChI=1S/C17H11BrN4/c18-15-5-7-16(8-6-15)21-17(22-10-9-20-12-22)14-3-1-13(11-19)2-4-14/h1-10,12H/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Ltd Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1				J Med Chem 36: 1393-400 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FR9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143760 ((4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-...) Show SMILES Cc1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37N3O/c1-25-11-9-10-16-29(25)30(35)32-23-19-31(2,20-24-32)33-21-17-28(18-22-33)34(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-16,28H,17-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143756 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143747 ((4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-di...) Show SMILES Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity of the compound against human C-C chemokine receptor type 5				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143747 ((4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-di...) Show SMILES Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143735 ((2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair

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