Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'wire' and Initial = 'mb'   

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))	BDBM50418490 (CHEMBL1784385) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.355	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418505 (CHEMBL1784481) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-9-3-2-4-10-27)16-19-38(20-17-35)34(41)26-8-7-11-28(36)22-26/h2-13,22,29-31H,14-21,23-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418547 (CHEMBL1784404) Show SMILES CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H42N4O/c1-2-34-37-32-15-9-10-16-33(32)40(34)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)35(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418499 (CHEMBL1784400) Show SMILES Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-22-28(36)12-15-33(32)40(25)31-23-29-13-14-30(24-31)39(29)21-18-35(27-10-6-3-7-11-27)16-19-38(20-17-35)34(41)26-8-4-2-5-9-26/h2-12,15,22,29-31H,13-14,16-21,23-24H2,1H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418541 (CHEMBL1784479) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418489 (CHEMBL1784384) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418548 (CHEMBL1784483) Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 Show InChI InChI=1S/C36H42N4O2/c1-26-37-33-13-6-7-14-34(33)40(26)31-24-29-15-16-30(25-31)39(29)22-19-36(28-10-4-3-5-11-28)17-20-38(21-18-36)35(41)27-9-8-12-32(23-27)42-2/h3-14,23,29-31H,15-22,24-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418500 (CHEMBL1784401) Show SMILES Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418504 (CHEMBL1784480) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 Show InChI InChI=1S/C35H38F2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418498 (CHEMBL1784398) Show SMILES FC(F)(F)c1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H37F3N4O/c36-35(37,38)33-39-30-13-7-8-14-31(30)42(33)29-23-27-15-16-28(24-29)41(27)22-19-34(26-11-5-2-6-12-26)17-20-40(21-18-34)32(43)25-9-3-1-4-10-25/h1-14,27-29H,15-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418503 (CHEMBL1784478) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-9-5-6-10-33(32)40(25)31-23-29-15-16-30(24-31)39(29)22-19-35(27-7-3-2-4-8-27)17-20-38(21-18-35)34(41)26-11-13-28(36)14-12-26/h2-14,29-31H,15-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418501 (CHEMBL1784402) Show SMILES COc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H40N4O2/c1-41-34-36-31-14-8-9-15-32(31)39(34)30-24-28-16-17-29(25-30)38(28)23-20-35(27-12-6-3-7-13-27)18-21-37(22-19-35)33(40)26-10-4-2-5-11-26/h2-15,28-30H,16-25H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418540 (CHEMBL1784397) Show SMILES CNc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H41N5O/c1-36-34-37-31-14-8-9-15-32(31)40(34)30-24-28-16-17-29(25-30)39(28)23-20-35(27-12-6-3-7-13-27)18-21-38(22-19-35)33(41)26-10-4-2-5-11-26/h2-15,28-30H,16-25H2,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418497 (CHEMBL1784396) Show SMILES Nc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H39N5O/c35-33-36-30-13-7-8-14-31(30)39(33)29-23-27-15-16-28(24-29)38(27)22-19-34(26-11-5-2-6-12-26)17-20-37(21-18-34)32(40)25-9-3-1-4-10-25/h1-14,27-29H,15-24H2,(H2,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418496 (CHEMBL1784395) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)n2cnc3ccccc23)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H38N4O/c39-33(26-9-3-1-4-10-26)36-20-17-34(18-21-36,27-11-5-2-6-12-27)19-22-37-28-15-16-29(37)24-30(23-28)38-25-35-31-13-7-8-14-32(31)38/h1-14,25,28-30H,15-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418519 (CHEMBL1784472) Show SMILES COC(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 Show InChI InChI=1S/C37H42N4O3/c1-26-38-33-13-6-7-14-34(33)41(26)32-24-30-15-16-31(25-32)40(30)22-19-37(29-11-4-3-5-12-29)17-20-39(21-18-37)35(42)27-9-8-10-28(23-27)36(43)44-2/h3-14,23,30-32H,15-22,24-25H2,1-2H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418490 (CHEMBL1784385) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418507 (CHEMBL1784405) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(F)c1 Show InChI InChI=1S/C33H43FN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3	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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418546 (CHEMBL1784399) Show SMILES Cc1nc2cc(ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C36H42N4O3S/c1-26-37-33-25-32(44(2,42)43)15-16-34(33)40(26)31-23-29-13-14-30(24-31)39(29)22-19-36(28-11-7-4-8-12-28)17-20-38(21-18-36)35(41)27-9-5-3-6-10-27/h3-12,15-16,25,29-31H,13-14,17-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418492 (CHEMBL1784388) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C33H42N4O2/c1-23-34-28-12-8-9-13-29(28)37(23)27-20-25-14-15-26(21-27)36(25)22-30(38)33(24-10-6-5-7-11-24)16-18-35(19-17-33)31(39)32(2,3)4/h5-13,25-27H,14-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418524 (CHEMBL1784477) Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 Show InChI InChI=1S/C37H45N5O3S/c1-27-38-34-14-7-8-15-35(34)42(27)32-25-30-16-17-31(26-32)41(30)23-20-37(29-11-5-4-6-12-29)18-21-40(22-19-37)36(43)28-10-9-13-33(24-28)46(44,45)39(2)3/h4-15,24,30-32H,16-23,25-26H2,1-3H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418489 (CHEMBL1784384) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418502 (CHEMBL1784403) Show SMILES CCOc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H42N4O2/c1-2-42-35-37-32-15-9-10-16-33(32)40(35)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)34(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418544 (CHEMBL1784386) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)C2NCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |(50.97,1.24,;50.68,-.25,;51.67,-1.42,;50.93,-2.75,;51.41,-4.21,;50.39,-5.36,;48.88,-5.05,;48.4,-3.59,;49.42,-2.43,;49.25,-.9,;47.91,-.14,;46.58,-.92,;45.25,-.15,;46.51,-.07,;47.14,1.03,;46.56,2.17,;47.9,1.4,;45.24,1.39,;43.9,2.15,;43.89,3.69,;42.6,4.53,;41.83,5.87,;40.29,5.87,;39.51,4.54,;40.28,3.2,;41.82,3.2,;37.99,4.54,;37.23,3.23,;37.23,5.86,;38,7.17,;35.71,5.86,;36.45,7.17,;43.93,5.29,;43.94,6.83,;45.28,7.6,;46.61,6.81,;46.6,5.27,;45.26,4.51,)| Show InChI InChI=1S/C33H44N4O/c1-23-35-28-12-8-9-13-29(28)37(23)27-20-24-14-15-25(21-27)30(24)34-22-33(26-10-6-5-7-11-26)16-18-36(19-17-33)31(38)32(2,3)4/h5-13,24-25,27,30,34H,14-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418545 (CHEMBL1784391) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)N2C(=O)c3ccccc3C2=O)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H37N3O3/c39-32(25-9-3-1-4-10-25)36-20-17-35(18-21-36,26-11-5-2-6-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-33(40)30-13-7-8-14-31(30)34(38)41/h1-14,27-29H,15-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418495 (CHEMBL1784394) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)n2c3ccccc3[nH]c2=O)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H38N4O2/c39-32(25-9-3-1-4-10-25)36-20-17-34(18-21-36,26-11-5-2-6-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-31-14-8-7-13-30(31)35-33(38)40/h1-14,27-29H,15-24H2,(H,35,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418506 (CHEMBL1784482) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C36H39F3N4O/c1-25-40-32-9-5-6-10-33(32)43(25)31-23-29-15-16-30(24-31)42(29)22-19-35(27-7-3-2-4-8-27)17-20-41(21-18-35)34(44)26-11-13-28(14-12-26)36(37,38)39/h2-14,29-31H,15-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418493 (CHEMBL1784389) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)Nc2ccccc2)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H39N3O/c37-32(26-10-4-1-5-11-26)35-21-18-33(19-22-35,27-12-6-2-7-13-27)20-23-36-30-16-17-31(36)25-29(24-30)34-28-14-8-3-9-15-28/h1-15,29-31,34H,16-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418494 (CHEMBL1784390) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)NCc2ccccc2)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H41N3O/c38-33(28-12-6-2-7-13-28)36-21-18-34(19-22-36,29-14-8-3-9-15-29)20-23-37-31-16-17-32(37)25-30(24-31)35-26-27-10-4-1-5-11-27/h1-15,30-32,35H,16-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50418491 (CHEMBL1784387) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2C(=O)CC1(CCN(CC1)C(=O)c1ccccc1C(O)=O)c1ccccc1 Show InChI InChI=1S/C36H38N4O4/c1-24-37-31-13-7-8-14-32(31)39(24)28-21-26-15-16-27(22-28)40(26)33(41)23-36(25-9-3-2-4-10-25)17-19-38(20-18-36)34(42)29-11-5-6-12-30(29)35(43)44/h2-14,26-28H,15-23H2,1H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418518 (CHEMBL1784471) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)CO)c1ccccc1 Show InChI InChI=1S/C33H44N4O2/c1-24-34-29-11-7-8-12-30(29)37(24)28-21-26-13-14-27(22-28)36(26)20-17-33(25-9-5-4-6-10-25)15-18-35(19-16-33)31(39)32(2,3)23-38/h4-12,26-28,38H,13-23H2,1-3H3	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	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418532 (CHEMBL1784519) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NCC(F)(F)F)c1cccc(F)c1 Show InChI InChI=1S/C37H39ClF5N5O3S/c1-23-45-32-7-2-3-8-33(32)48(23)28-18-26-9-10-27(19-28)47(26)16-13-36(24-5-4-6-25(39)17-24)11-14-46(15-12-36)35(49)29-20-34(31(40)21-30(29)38)52(50,51)44-22-37(41,42)43/h2-8,17,20-21,26-28,44H,9-16,18-19,22H2,1H3	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	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418539 (CHEMBL1784526) Show SMILES CC(C)S(=O)(=O)Nc1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(F)cc1F Show InChI InChI=1S/C38H44F3N5O3S/c1-24(2)50(48,49)43-35-22-31(32(40)23-33(35)41)37(47)44-16-13-38(14-17-44,26-7-6-8-27(39)19-26)15-18-45-28-11-12-29(45)21-30(20-28)46-25(3)42-34-9-4-5-10-36(34)46/h4-10,19,22-24,28-30,43H,11-18,20-21H2,1-3H3	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	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418533 (CHEMBL1784520) Show SMILES CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C38H44ClF2N5O3S/c1-3-16-42-50(48,49)36-23-31(32(39)24-33(36)41)37(47)44-17-13-38(14-18-44,26-7-6-8-27(40)20-26)15-19-45-28-11-12-29(45)22-30(21-28)46-25(2)43-34-9-4-5-10-35(34)46/h4-10,20,23-24,28-30,42H,3,11-19,21-22H2,1-2H3	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	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418535 (CHEMBL1784522) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1cccc(F)c1 Show InChI InChI=1S/C36H41ClFN5O3S/c1-24-39-33-8-3-4-9-34(33)43(24)30-22-28-11-12-29(23-30)42(28)19-16-36(25-6-5-7-26(38)20-25)14-17-41(18-15-36)35(44)31-13-10-27(21-32(31)37)40-47(2,45)46/h3-10,13,20-21,28-30,40H,11-12,14-19,22-23H2,1-2H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418531 (CHEMBL1784518) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CC1)c1cccc(F)c1 Show InChI InChI=1S/C38H42ClF2N5O3S/c1-24-42-34-7-2-3-8-35(34)46(24)30-20-28-11-12-29(21-30)45(28)18-15-38(25-5-4-6-26(40)19-25)13-16-44(17-14-38)37(47)31-22-36(33(41)23-32(31)39)50(48,49)43-27-9-10-27/h2-8,19,22-23,27-30,43H,9-18,20-21H2,1H3	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418530 (CHEMBL1784517) Show SMILES CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C38H44ClF2N5O3S/c1-24(2)43-50(48,49)36-22-31(32(39)23-33(36)41)37(47)44-16-13-38(14-17-44,26-7-6-8-27(40)19-26)15-18-45-28-11-12-29(45)21-30(20-28)46-25(3)42-34-9-4-5-10-35(34)46/h4-10,19,22-24,28-30,43H,11-18,20-21H2,1-3H3	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	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418512 (CHEMBL1784465) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)c1nnn[nH]1)c1ccccc1 Show InChI InChI=1S/C33H42N8O/c1-23-34-28-11-7-8-12-29(28)41(23)27-21-25-13-14-26(22-27)40(25)20-17-33(24-9-5-4-6-10-24)15-18-39(19-16-33)31(42)32(2,3)30-35-37-38-36-30/h4-12,25-27H,13-22H2,1-3H3,(H,35,36,37,38)	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	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418534 (CHEMBL1784521 | GSK-163929) Show SMILES CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C36H40ClF2N5O3S/c1-23-41-32-8-3-4-9-33(32)44(23)28-19-26-10-11-27(20-28)43(26)17-14-36(24-6-5-7-25(38)18-24)12-15-42(16-13-36)35(45)29-21-34(48(46,47)40-2)31(39)22-30(29)37/h3-9,18,21-22,26-28,40H,10-17,19-20H2,1-2H3	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	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418522 (CHEMBL1784475) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C35H41N5O3S/c1-25-37-32-9-5-6-10-33(32)40(25)30-23-28-13-14-29(24-30)39(28)22-19-35(27-7-3-2-4-8-27)17-20-38(21-18-35)34(41)26-11-15-31(16-12-26)44(36,42)43/h2-12,15-16,28-30H,13-14,17-24H2,1H3,(H2,36,42,43)	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418520 (CHEMBL1784464) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C36H41N5O2/c1-25-38-32-12-5-6-13-33(32)41(25)31-23-29-14-15-30(24-31)40(29)21-18-36(28-10-3-2-4-11-28)16-19-39(20-17-36)35(43)27-9-7-8-26(22-27)34(37)42/h2-13,22,29-31H,14-21,23-24H2,1H3,(H2,37,42)	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418513 (CHEMBL1784466) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C(=O)NS(C)(=O)=O)c1ccccc1 Show InChI InChI=1S/C34H45N5O4S/c1-24-35-29-12-8-9-13-30(29)39(24)28-22-26-14-15-27(23-28)38(26)21-18-34(25-10-6-5-7-11-25)16-19-37(20-17-34)32(41)33(2,3)31(40)36-44(4,42)43/h5-13,26-28H,14-23H2,1-4H3,(H,36,40)	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418543 (CHEMBL1784516) Show SMILES CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C37H42ClF2N5O3S/c1-3-41-49(47,48)35-22-30(31(38)23-32(35)40)36(46)43-16-13-37(14-17-43,25-7-6-8-26(39)19-25)15-18-44-27-11-12-28(44)21-29(20-27)45-24(2)42-33-9-4-5-10-34(33)45/h4-10,19,22-23,27-29,41H,3,11-18,20-21H2,1-2H3	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	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418529 (CHEMBL1784515) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CCCC1)c1cccc(F)c1 Show InChI InChI=1S/C40H46ClF2N5O3S/c1-26-44-36-11-4-5-12-37(36)48(26)32-22-30-13-14-31(23-32)47(30)20-17-40(27-7-6-8-28(42)21-27)15-18-46(19-16-40)39(49)33-24-38(35(43)25-34(33)41)52(50,51)45-29-9-2-3-10-29/h4-8,11-12,21,24-25,29-32,45H,2-3,9-10,13-20,22-23H2,1H3	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	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418516 (CHEMBL1784469) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc2c(CC(=O)NS2(=O)=O)c1)c1ccccc1 Show InChI InChI=1S/C37H41N5O4S/c1-25-38-32-9-5-6-10-33(32)42(25)31-23-29-12-13-30(24-31)41(29)20-17-37(28-7-3-2-4-8-28)15-18-40(19-16-37)36(44)26-11-14-34-27(21-26)22-35(43)39-47(34,45)46/h2-11,14,21,29-31H,12-13,15-20,22-24H2,1H3,(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418525 (CHEMBL1784509) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(N)(=O)=O)c1cccc(F)c1 Show InChI InChI=1S/C35H38ClF2N5O3S/c1-22-40-31-7-2-3-8-32(31)43(22)27-18-25-9-10-26(19-27)42(25)16-13-35(23-5-4-6-24(37)17-23)11-14-41(15-12-35)34(44)28-20-33(47(39,45)46)30(38)21-29(28)36/h2-8,17,20-21,25-27H,9-16,18-19H2,1H3,(H2,39,45,46)	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	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418514 (CHEMBL1784467) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nnn[nH]1)c1ccccc1 Show InChI InChI=1S/C36H40N8O/c1-25-37-32-12-5-6-13-33(32)44(25)31-23-29-14-15-30(24-31)43(29)21-18-36(28-10-3-2-4-11-28)16-19-42(20-17-36)35(45)27-9-7-8-26(22-27)34-38-40-41-39-34/h2-13,22,29-31H,14-21,23-24H2,1H3,(H,38,39,40,41)	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	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418517 (CHEMBL1784470) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nc(=S)o[nH]1)c1ccccc1 Show InChI InChI=1S/C37H40N6O2S/c1-25-38-32-12-5-6-13-33(32)43(25)31-23-29-14-15-30(24-31)42(29)21-18-37(28-10-3-2-4-11-28)16-19-41(20-17-37)35(44)27-9-7-8-26(22-27)34-39-36(46)45-40-34/h2-13,22,29-31H,14-21,23-24H2,1H3,(H,39,40,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418536 (CHEMBL1782081) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(NS(C)(=O)=O)c(F)cc1Cl)c1cccc(F)c1 Show InChI InChI=1S/C36H40ClF2N5O3S/c1-23-40-32-8-3-4-9-34(32)44(23)28-19-26-10-11-27(20-28)43(26)17-14-36(24-6-5-7-25(38)18-24)12-15-42(16-13-36)35(45)29-21-33(41-48(2,46)47)31(39)22-30(29)37/h3-9,18,21-22,26-28,41H,10-17,19-20H2,1-2H3	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	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418538 (CHEMBL1784524) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1c(F)ccc(NS(C)(=O)=O)c1F)c1cccc(F)c1 Show InChI InChI=1S/C36H40F3N5O3S/c1-23-40-30-8-3-4-9-32(30)44(23)28-21-26-10-11-27(22-28)43(26)19-16-36(24-6-5-7-25(37)20-24)14-17-42(18-15-36)35(45)33-29(38)12-13-31(34(33)39)41-48(2,46)47/h3-9,12-13,20,26-28,41H,10-11,14-19,21-22H2,1-2H3	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	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Erg by patch clamp assay				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair

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