Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'fenwick' and Initial = 'r'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12557 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12558 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12561 (N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)| Show InChI InChI=1S/C24H28ClN3O4S/c1-15(23(29)28-14-16-2-7-20(28)8-3-16)27-11-10-22(24(27)30)26-33(31,32)21-9-5-17-12-19(25)6-4-18(17)13-21/h4-6,9,12-13,15-16,20,22,26H,2-3,7-8,10-11,14H2,1H3/t15-,16?,20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12538 (6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12566 (6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12562 (6-chloro-N-[(3S)-1-[(2S)-1-[(1R,5S)-3,7-diazabicyc...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C24H29ClN4O4S/c1-15(23(30)28-13-16-8-17(14-28)12-26-11-16)29-7-6-22(24(29)31)27-34(32,33)21-5-3-18-9-20(25)4-2-19(18)10-21/h2-5,9-10,15-17,22,26-27H,6-8,11-14H2,1H3/t15-,16-,17+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12574 (6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12573 (6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12560 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(pyrrolidin...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C21H24ClN3O4S/c1-14(20(26)24-9-2-3-10-24)25-11-8-19(21(25)27)23-30(28,29)18-7-5-15-12-17(22)6-4-16(15)13-18/h4-7,12-14,19,23H,2-3,8-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12571 (6-chloro-N-[(3R)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12554 (N-[(3S)-1-[2-(azepan-1-yl)-2-oxoethyl]-2-oxopyrrol...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-25(32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20)21-10-13-27(23(21)29)16-22(28)26-11-4-2-3-5-12-26/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12556 (6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(piperidin-1-yl)...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1=O |r| Show InChI InChI=1S/C21H24ClN3O4S/c22-17-6-4-16-13-18(7-5-15(16)12-17)30(28,29)23-19-8-11-25(21(19)27)14-20(26)24-9-2-1-3-10-24/h4-7,12-13,19,23H,1-3,8-11,14H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12555 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperi...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-24(31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19)20-9-12-26(22(20)28)15-21(27)25-10-3-2-4-11-25/h5-8,13-14,20H,2-4,9-12,15H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12570 (6-chloro-N-[(3R)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12575 (6-chloro-N-[(3S)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12572 (6-chloro-N-[(3S)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12563 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperazin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C21H25ClN4O4S/c1-14(20(27)25-10-7-23-8-11-25)26-9-6-19(21(26)28)24-31(29,30)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23-24H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12564 (6-chloro-N-[(3S)-1-[(2S)-1-(4-methylpiperazin-1-yl...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C22H27ClN4O4S/c1-15(21(28)26-11-9-25(2)10-12-26)27-8-7-20(22(27)29)24-32(30,31)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20,24H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12559 (6-chloro-N-{1-[2-methyl-1-oxo-1-(piperidin-1-yl)pr...) Show SMILES CC(C)(N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H28ClN3O4S/c1-23(2,22(29)26-11-4-3-5-12-26)27-13-10-20(21(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20,25H,3-5,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276291 (CHEMBL472464 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CC1 Show InChI InChI=1S/C31H41N3O2/c1-23-8-7-9-24(2)28(23)30(36)32-20-16-31(3,17-21-32)33-18-14-27(15-19-33)34(29(35)26-12-13-26)22-25-10-5-4-6-11-25/h4-11,26-27H,12-22H2,1-3H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276259 (CHEMBL481068 | exo-N-benzyl-N-((R)-1-(8-(2,6-dimet...) Show SMILES Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r,THB:8:10:15.16.17:12.13| Show InChI InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276260 ((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r| Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507856 (CHEMBL4483603) Show SMILES CCC[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C |r| Show InChI InChI=1S/C15H23N3/c1-5-6-11(16)14-17-12-8-7-10(15(2,3)4)9-13(12)18-14/h7-9,11H,5-6,16H2,1-4H3,(H,17,18)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276290 (CHEMBL472260 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1 Show InChI InChI=1S/C31H41N3O2/c1-23-8-6-9-24(2)29(23)31(36)33-20-14-27(15-21-33)32-18-16-28(17-19-32)34(30(35)26-12-7-13-26)22-25-10-4-3-5-11-25/h3-6,8-11,26-28H,7,12-22H2,1-2H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276260 ((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r| Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125]Mip1beta form CCR5 receptor (unknown origin) expressed in MIP34.10 cells				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507839 (PF-6305591 | Pf-06305591) Show SMILES C[C@H]([C@H](N)c1nc2ccc(cc2[nH]1)C(C)(C)C)C(N)=O Show InChI InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507845 (CHEMBL4455868) Show SMILES CO[C@H](C)[C@H](N)c1nc2cc(ccc2[nH]1)-c1ccc(cc1F)C#N |r| Show InChI InChI=1S/C18H17FN4O/c1-10(24-2)17(21)18-22-15-6-4-12(8-16(15)23-18)13-5-3-11(9-20)7-14(13)19/h3-8,10,17H,21H2,1-2H3,(H,22,23)/t10-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507851 (CHEMBL4474590) Show SMILES CO[C@H](C)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C |r| Show InChI InChI=1S/C15H23N3O/c1-9(19-5)13(16)14-17-11-7-6-10(15(2,3)4)8-12(11)18-14/h6-9,13H,16H2,1-5H3,(H,17,18)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276623 ((4-((1-benzhydrylazetidin-3-yl)(methyl)amino)piper...) Show SMILES CN(C1CN(C1)C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)c1c(C)ccnc1C Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)33-18-15-26(16-19-33)32(3)27-20-34(21-27)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507854 (CHEMBL4562194) Show SMILES CC(C)(C)c1ccc2[nH]c(nc2c1)[C@H]1C[C@@H](O)CN1 |r| Show InChI InChI=1S/C15H21N3O/c1-15(2,3)9-4-5-11-12(6-9)18-14(17-11)13-7-10(19)8-16-13/h4-6,10,13,16,19H,7-8H2,1-3H3,(H,17,18)/t10-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276672 ((4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507848 (CHEMBL4457824) Show SMILES CC(C)c1ccc2[nH]c(nc2c1)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C13H19N3O/c1-7(2)9-4-5-10-11(6-9)16-13(15-10)12(14)8(3)17/h4-8,12,17H,14H2,1-3H3,(H,15,16)/t8-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507855 (CHEMBL4564889) Show SMILES CC(C)(C)c1ccc2[nH]c(nc2c1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C15H21N3/c1-15(2,3)10-6-7-11-13(9-10)18-14(17-11)12-5-4-8-16-12/h6-7,9,12,16H,4-5,8H2,1-3H3,(H,17,18)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507840 (CHEMBL4452291) Show SMILES C[C@H]([C@H](N)c1cn2cc(ccc2n1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C15H22N4O/c1-9(14(17)20)13(16)11-8-19-7-10(15(2,3)4)5-6-12(19)18-11/h5-9,13H,16H2,1-4H3,(H2,17,20)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276793 (CHEMBL459986 | rac-N-(2-(3-(2,2-diphenylethyl)pipe...) Show SMILES Cc1ccnc(C)c1C(=O)NCCN1CCCC(CC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C29H35N3O/c1-22-15-16-30-23(2)28(22)29(33)31-17-19-32-18-9-10-24(21-32)20-27(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-16,24,27H,9-10,17-21H2,1-2H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507861 (CHEMBL4571436) Show SMILES C[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C |r| Show InChI InChI=1S/C14H21N3O/c1-8(18)12(15)13-16-10-6-5-9(14(2,3)4)7-11(10)17-13/h5-8,12,18H,15H2,1-4H3,(H,16,17)/t8-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507837 (CHEMBL4546247) Show SMILES CC(C)(C)c1ccc2[nH]c(nc2c1)[C@@](C)(N)CO |r| Show InChI InChI=1S/C14H21N3O/c1-13(2,3)9-5-6-10-11(7-9)17-12(16-10)14(4,15)8-18/h5-7,18H,8,15H2,1-4H3,(H,16,17)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507862 (CHEMBL4521566) Show SMILES C[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C10H12F5N3OS/c1-5(19)9(16)10-17-7-3-2-6(4-8(7)18-10)20(11,12,13,14)15/h2-5,9,19H,16H2,1H3,(H,17,18)/t5-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276792 ((3-((1-benzhydrylpiperidin-4-yl)(methyl)amino)azet...) Show SMILES CN(C1CN(C1)C(=O)c1c(C)ccnc1C)C1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)34-20-27(21-34)32(3)26-15-18-33(19-16-26)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507850 (CHEMBL4468605) Show SMILES CC(C)(C)c1ccc2[nH]c(nc2c1)[C@@H](N)CO |r| Show InChI InChI=1S/C13H19N3O/c1-13(2,3)8-4-5-10-11(6-8)16-12(15-10)9(14)7-17/h4-6,9,17H,7,14H2,1-3H3,(H,15,16)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507863 (CHEMBL4590816) Show SMILES CC(C)(C)c1ccc2[nH]c(nc2c1)[C@H](N)CC(N)=O |r| Show InChI InChI=1S/C14H20N4O/c1-14(2,3)8-4-5-10-11(6-8)18-13(17-10)9(15)7-12(16)19/h4-6,9H,7,15H2,1-3H3,(H2,16,19)(H,17,18)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276217 (CHEMBL471403 | N-((4-benzyl-1'-(2,6-dimethylbenzoy...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CNC(=O)C2CC2)(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H41N3O2/c1-23-7-6-8-24(2)28(23)30(36)34-17-13-27(14-18-34)33-19-15-31(16-20-33,21-25-9-4-3-5-10-25)22-32-29(35)26-11-12-26/h3-10,26-27H,11-22H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507849 (CHEMBL4583673) Show SMILES CC(C)[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C |r| Show InChI InChI=1S/C16H25N3O/c1-9(2)14(20)13(17)15-18-11-7-6-10(16(3,4)5)8-12(11)19-15/h6-9,13-14,20H,17H2,1-5H3,(H,18,19)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50276671 ((4-(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)35-21-28-13-14-29(22-35)36(28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1084-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.012 BindingDB Entry DOI: 10.7270/Q2W095SG
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507846 (CHEMBL4447338) Show SMILES C[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C11H12F3N3O/c1-5(18)9(15)10-16-7-3-2-6(11(12,13)14)4-8(7)17-10/h2-5,9,18H,15H2,1H3,(H,16,17)/t5-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	534	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507844 (CHEMBL4453894) Show SMILES C[C@H](O)[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C17H16N4O/c1-10(22)16(19)17-20-14-7-6-13(8-15(14)21-17)12-4-2-11(9-18)3-5-12/h2-8,10,16,22H,19H2,1H3,(H,20,21)/t10-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50507836 (CHEMBL4443309) Show SMILES CC1(CC1)c1ccc2[nH]c(nc2c1)[C@@H](N)CO |r| Show InChI InChI=1S/C13H17N3O/c1-13(4-5-13)8-2-3-10-11(6-8)16-12(15-10)9(14)7-17/h2-3,6,9,17H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	593	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method				Bioorg Med Chem 27: 230-239 (2019) Article DOI: 10.1016/j.bmc.2018.12.002 BindingDB Entry DOI: 10.7270/Q2ZK5KZN
					More data for this Ligand-Target Pair

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