Compile Data Set for Download or QSAR

Found 632 hits with Last Name = 'arnold' and Initial = 'la'   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50529214 (CHEMBL343822) Show SMILES Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 Show InChI InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of alpha1A adrenergic receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of alpha1 adrenergic receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of PBR receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50529214 (CHEMBL343822) Show SMILES Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 Show InChI InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of alpha1 adrenergic receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50529213 (CHEMBL4465132) Show SMILES Fc1cncc(F)c1CC1(Cc2ccnnc2)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C25H17F2N3O/c26-22-14-28-15-23(27)19(22)12-25(11-16-9-10-29-30-13-16)20-7-3-1-5-17(20)24(31)18-6-2-4-8-21(18)25/h1-10,13-15H,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of D3 receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50529213 (CHEMBL4465132) Show SMILES Fc1cncc(F)c1CC1(Cc2ccnnc2)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C25H17F2N3O/c26-22-14-28-15-23(27)19(22)12-25(11-16-9-10-29-30-13-16)20-7-3-1-5-17(20)24(31)18-6-2-4-8-21(18)25/h1-10,13-15H,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of alpha1 adrenergic receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01928 BindingDB Entry DOI: 10.7270/Q2H41WB8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
TBA					Assay Description Inhibition of HDAC1 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01928 BindingDB Entry DOI: 10.7270/Q2H41WB8
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50503927 (CHEMBL4470628) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN5O4/c1-16(2)19-13-20(17-5-7-18(27)8-6-17)29-32-14-21(28-24(19)32)25(36)31-12-11-30(15-26(31,3)4)22(33)9-10-23(34)35/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG 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
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of trypsin-induced intracellular calcium mobilization preincubated for 15 m...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01928 BindingDB Entry DOI: 10.7270/Q2H41WB8
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50098215 (4-Amino-N-benzyl-2-[2-{3-[1-(2,6-dichloro-benzyl)-...) Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-30-9-6-10-31(42)29(30)23-52-37-21-27(12-13-28(37)36(50-52)24-51-17-4-5-18-51)47-40(55)49-35(20-26-11-14-32(43)33(44)19-26)39(54)48-34(15-16-45)38(53)46-22-25-7-2-1-3-8-25/h1-3,6-14,19,21,34-35H,4-5,15-18,20,22-24,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human MDA-MB-231 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated fo...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC8 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01928 BindingDB Entry DOI: 10.7270/Q2H41WB8
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503928 (CHEMBL4459024) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1 |r| Show InChI InChI=1S/C63H84Cl2F2N12O12/c64-52-9-6-10-53(65)51(52)44-79-59-41-48(12-14-50(59)58(75-79)45-77-20-4-5-21-77)71-63(83)73-57(40-47-11-15-54(66)55(67)39-47)62(82)72-56(61(81)70-42-46-7-2-1-3-8-46)17-19-69-60(80)16-13-49-43-78(76-74-49)22-24-85-26-28-87-30-32-89-34-36-91-38-37-90-35-33-88-31-29-86-27-25-84-23-18-68/h1-3,6-12,14-15,39,41,43,56-57H,4-5,13,16-38,40,42,44-45,68H2,(H,69,80)(H,70,81)(H,72,82)(H2,71,73,83)/t56-,57-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human MDA-MB-231 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated fo...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus cyclin homolog (Human herpesvirus 8 (HHV-8) (Kaposi's sarcoma-...)	BDBM36461 (3-Benzyl-4-(3-(cyclohexylmethyl)-4-methoxybenzamid...) Show SMILES COc1ccc(cc1CC1CCCCC1)C(=O)Nc1ccc(cc1Cc1ccccc1)C(O)=O Show InChI InChI=1S/C29H31NO4/c1-34-27-15-13-22(18-25(27)17-21-10-6-3-7-11-21)28(31)30-26-14-12-23(29(32)33)19-24(26)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,18-19,21H,3,6-7,10-11,16-17H2,1H3,(H,30,31)(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	8.0	30
University of California, San Francisco					Assay Description Human herpesvirus assay using human Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr).				Nat Chem Biol 5: 640-6 (2009) Article DOI: 10.1038/nchembio.192 BindingDB Entry DOI: 10.7270/Q2RF5SC8
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50098215 (4-Amino-N-benzyl-2-[2-{3-[1-(2,6-dichloro-benzyl)-...) Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-30-9-6-10-31(42)29(30)23-52-37-21-27(12-13-28(37)36(50-52)24-51-17-4-5-18-51)47-40(55)49-35(20-26-11-14-32(43)33(44)19-26)39(54)48-34(15-16-45)38(53)46-22-25-7-2-1-3-8-25/h1-3,6-14,19,21,34-35H,4-5,15-18,20,22-24,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503926 (CHEMBL4472608) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C85H104Cl2F3N17O13/c1-57(2)65-50-72(60-16-18-61(88)19-17-60)99-107-55-75(95-80(65)107)83(113)105-33-32-103(56-85(105,3)4)79(110)26-25-78(109)92-29-35-115-37-39-117-41-43-119-45-46-120-44-42-118-40-38-116-36-34-104-52-63(98-101-104)21-24-77(108)91-28-27-71(81(111)93-51-58-11-6-5-7-12-58)96-82(112)73(48-59-15-23-69(89)70(90)47-59)97-84(114)94-62-20-22-64-74(54-102-30-8-9-31-102)100-106(76(64)49-62)53-66-67(86)13-10-14-68(66)87/h5-7,10-20,22-23,47,49-50,52,55,57,71,73H,8-9,21,24-46,48,51,53-54,56H2,1-4H3,(H,91,108)(H,92,109)(H,93,111)(H,96,112)(H2,94,97,114)/t71-,73-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503924 (CHEMBL4437508) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C93H120Cl2F3N17O17/c1-65(2)73-58-80(68-16-18-69(96)19-17-68)107-115-63-83(103-88(73)115)91(121)113-33-32-111(64-93(113,3)4)87(118)26-25-86(117)100-29-35-123-37-39-125-41-43-127-45-47-129-49-51-131-53-54-132-52-50-130-48-46-128-44-42-126-40-38-124-36-34-112-60-71(106-109-112)21-24-85(116)99-28-27-79(89(119)101-59-66-11-6-5-7-12-66)104-90(120)81(56-67-15-23-77(97)78(98)55-67)105-92(122)102-70-20-22-72-82(62-110-30-8-9-31-110)108-114(84(72)57-70)61-74-75(94)13-10-14-76(74)95/h5-7,10-20,22-23,55,57-58,60,63,65,79,81H,8-9,21,24-54,56,59,61-62,64H2,1-4H3,(H,99,116)(H,100,117)(H,101,119)(H,104,120)(H2,102,105,122)/t79-,81-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529214 (CHEMBL343822) Show SMILES Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3C(=O)c3ccccc23)ccn1 Show InChI InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529215 (CHEBI:35046 | CHEMBL342375) Show SMILES O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12 Show InChI InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503928 (CHEMBL4459024) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1 |r| Show InChI InChI=1S/C63H84Cl2F2N12O12/c64-52-9-6-10-53(65)51(52)44-79-59-41-48(12-14-50(59)58(75-79)45-77-20-4-5-21-77)71-63(83)73-57(40-47-11-15-54(66)55(67)39-47)62(82)72-56(61(81)70-42-46-7-2-1-3-8-46)17-19-69-60(80)16-13-49-43-78(76-74-49)22-24-85-26-28-87-30-32-89-34-36-91-38-37-90-35-33-88-31-29-86-27-25-84-23-18-68/h1-3,6-12,14-15,39,41,43,56-57H,4-5,13,16-38,40,42,44-45,68H2,(H,69,80)(H,70,81)(H,72,82)(H2,71,73,83)/t56-,57-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50503927 (CHEMBL4470628) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN5O4/c1-16(2)19-13-20(17-5-7-18(27)8-6-17)29-32-14-21(28-24(19)32)25(36)31-12-11-30(15-26(31,3)4)22(33)9-10-23(34)35/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503929 (CHEMBL4578092) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C89H112Cl2F3N17O15/c1-61(2)69-54-76(64-16-18-65(92)19-17-64)103-111-59-79(99-84(69)111)87(117)109-33-32-107(60-89(109,3)4)83(114)26-25-82(113)96-29-35-119-37-39-121-41-43-123-45-47-125-49-50-126-48-46-124-44-42-122-40-38-120-36-34-108-56-67(102-105-108)21-24-81(112)95-28-27-75(85(115)97-55-62-11-6-5-7-12-62)100-86(116)77(52-63-15-23-73(93)74(94)51-63)101-88(118)98-66-20-22-68-78(58-106-30-8-9-31-106)104-110(80(68)53-66)57-70-71(90)13-10-14-72(70)91/h5-7,10-20,22-23,51,53-54,56,59,61,75,77H,8-9,21,24-50,52,55,57-58,60H2,1-4H3,(H,95,112)(H,96,113)(H,97,115)(H,100,116)(H2,98,101,118)/t75-,77-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503925 (CHEMBL4540591) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C119H172Cl2F3N17O30/c1-91(2)99-84-106(94-16-18-95(122)19-17-94)133-141-89-109(129-114(99)141)117(147)139-33-32-137(90-119(139,3)4)113(144)26-25-112(143)126-29-35-149-37-39-151-41-43-153-45-47-155-49-51-157-53-55-159-57-59-161-61-63-163-65-67-165-69-71-167-73-75-169-77-79-171-80-78-170-76-74-168-72-70-166-68-66-164-64-62-162-60-58-160-56-54-158-52-50-156-48-46-154-44-42-152-40-38-150-36-34-138-86-97(132-135-138)21-24-111(142)125-28-27-105(115(145)127-85-92-11-6-5-7-12-92)130-116(146)107(82-93-15-23-103(123)104(124)81-93)131-118(148)128-96-20-22-98-108(88-136-30-8-9-31-136)134-140(110(98)83-96)87-100-101(120)13-10-14-102(100)121/h5-7,10-20,22-23,81,83-84,86,89,91,105,107H,8-9,21,24-80,82,85,87-88,90H2,1-4H3,(H,125,142)(H,126,143)(H,127,145)(H,130,146)(H2,128,131,148)/t105-,107-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human MDA-MB-231 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated fo...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529213 (CHEMBL4465132) Show SMILES Fc1cncc(F)c1CC1(Cc2ccnnc2)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C25H17F2N3O/c26-22-14-28-15-23(27)19(22)12-25(11-16-9-10-29-30-13-16)20-7-3-1-5-17(20)24(31)18-6-2-4-8-21(18)25/h1-10,13-15H,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503925 (CHEMBL4540591) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C119H172Cl2F3N17O30/c1-91(2)99-84-106(94-16-18-95(122)19-17-94)133-141-89-109(129-114(99)141)117(147)139-33-32-137(90-119(139,3)4)113(144)26-25-112(143)126-29-35-149-37-39-151-41-43-153-45-47-155-49-51-157-53-55-159-57-59-161-61-63-163-65-67-165-69-71-167-73-75-169-77-79-171-80-78-170-76-74-168-72-70-166-68-66-164-64-62-162-60-58-160-56-54-158-52-50-156-48-46-154-44-42-152-40-38-150-36-34-138-86-97(132-135-138)21-24-111(142)125-28-27-105(115(145)127-85-92-11-6-5-7-12-92)130-116(146)107(82-93-15-23-103(123)104(124)81-93)131-118(148)128-96-20-22-98-108(88-136-30-8-9-31-136)134-140(110(98)83-96)87-100-101(120)13-10-14-102(100)121/h5-7,10-20,22-23,81,83-84,86,89,91,105,107H,8-9,21,24-80,82,85,87-88,90H2,1-4H3,(H,125,142)(H,126,143)(H,127,145)(H,130,146)(H2,128,131,148)/t105-,107-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 1...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01928 BindingDB Entry DOI: 10.7270/Q2H41WB8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512562 (CHEMBL4438936) Show SMILES CCCNC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 Show InChI InChI=1S/C17H17BrN2O2/c1-2-10-19-16(21)12-6-5-7-13(11-12)20-17(22)14-8-3-4-9-15(14)18/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512562 (CHEMBL4438936) Show SMILES CCCNC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 Show InChI InChI=1S/C17H17BrN2O2/c1-2-10-19-16(21)12-6-5-7-13(11-12)20-17(22)14-8-3-4-9-15(14)18/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512565 (CHEMBL4451525) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 Show InChI InChI=1S/C18H13BrN2O3/c19-15-8-2-1-7-14(15)17(22)20-12-5-3-6-13(11-12)21-18(23)16-9-4-10-24-16/h1-11H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512565 (CHEMBL4451525) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 Show InChI InChI=1S/C18H13BrN2O3/c19-15-8-2-1-7-14(15)17(22)20-12-5-3-6-13(11-12)21-18(23)16-9-4-10-24-16/h1-11H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50503925 (CHEMBL4540591) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C119H172Cl2F3N17O30/c1-91(2)99-84-106(94-16-18-95(122)19-17-94)133-141-89-109(129-114(99)141)117(147)139-33-32-137(90-119(139,3)4)113(144)26-25-112(143)126-29-35-149-37-39-151-41-43-153-45-47-155-49-51-157-53-55-159-57-59-161-61-63-163-65-67-165-69-71-167-73-75-169-77-79-171-80-78-170-76-74-168-72-70-166-68-66-164-64-62-162-60-58-160-56-54-158-52-50-156-48-46-154-44-42-152-40-38-150-36-34-138-86-97(132-135-138)21-24-111(142)125-28-27-105(115(145)127-85-92-11-6-5-7-12-92)130-116(146)107(82-93-15-23-103(123)104(124)81-93)131-118(148)128-96-20-22-98-108(88-136-30-8-9-31-136)134-140(110(98)83-96)87-100-101(120)13-10-14-102(100)121/h5-7,10-20,22-23,81,83-84,86,89,91,105,107H,8-9,21,24-80,82,85,87-88,90H2,1-4H3,(H,125,142)(H,126,143)(H,127,145)(H,130,146)(H2,128,131,148)/t105-,107-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of thrombin-induced intracellular calcium mobilization preincubated for 15 ...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512563 (CHEMBL4514779) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2cnco2)c1 Show InChI InChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-19-10-24-15/h1-10H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512563 (CHEMBL4514779) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2cnco2)c1 Show InChI InChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-19-10-24-15/h1-10H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512561 (CHEMBL4448258) Show SMILES FC(F)(F)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 Show InChI InChI=1S/C16H12BrF3N2O2/c17-13-7-2-1-6-12(13)15(24)22-11-5-3-4-10(8-11)21-14(23)9-16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512561 (CHEMBL4448258) Show SMILES FC(F)(F)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 Show InChI InChI=1S/C16H12BrF3N2O2/c17-13-7-2-1-6-12(13)15(24)22-11-5-3-4-10(8-11)21-14(23)9-16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512564 (CHEMBL4594058) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2cocn2)c1 Show InChI InChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-24-10-19-15/h1-10H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294961 (1-(2-Chloro-4-(hexylsulfonyl)phenyl)-3-(4-(ethylsu...) Show SMILES CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(CC2)S(=O)(=O)CC)c(Cl)c1 Show InChI InChI=1S/C21H33ClN2O5S2/c1-3-5-6-7-16-30(26,27)18-8-9-19(20(22)17-18)21(25)10-11-23-12-14-24(15-13-23)31(28,29)4-2/h8-9,17H,3-7,10-16H2,1-2H3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50512564 (CHEMBL4594058) Show SMILES Brc1ccccc1C(=O)Nc1cccc(NC(=O)c2cocn2)c1 Show InChI InChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-24-10-19-15/h1-10H,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubate...				Bioorg Med Chem 27: 3788-3796 (2019) Article DOI: 10.1016/j.bmc.2019.06.043 BindingDB Entry DOI: 10.7270/Q2MP56MJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50503927 (CHEMBL4470628) Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN5O4/c1-16(2)19-13-20(17-5-7-18(27)8-6-17)29-32-14-21(28-24(19)32)25(36)31-12-11-30(15-26(31,3)4)22(33)9-10-23(34)35/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at PAR2 in human MDA-MB-231 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization preincubated fo...				ACS Med Chem Lett 10: 121-126 (2019) Article DOI: 10.1021/acsmedchemlett.8b00538 BindingDB Entry DOI: 10.7270/Q24Q7Z7G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294962 (3-(4-Acetylpiperazin-1-yl)-1-(2-chloro-4-(hexylsul...) Show SMILES CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(CC2)C(C)=O)c(Cl)c1 Show InChI InChI=1S/C21H31ClN2O4S/c1-3-4-5-6-15-29(27,28)18-7-8-19(20(22)16-18)21(26)9-10-23-11-13-24(14-12-23)17(2)25/h7-8,16H,3-6,9-15H2,1-2H3	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	500	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529217 (CHEMBL4447214) Show SMILES Cc1cc(CC2(Cc3ccnc(C)c3)c3ccccc3C(=O)c3ccccc23)ccn1 Show InChI InChI=1S/C28H24N2O/c1-19-15-21(11-13-29-19)17-28(18-22-12-14-30-20(2)16-22)25-9-5-3-7-23(25)27(31)24-8-4-6-10-26(24)28/h3-16H,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50446373 (CHEMBL3109624) Show SMILES Cc1[nH]c2ccccc2c1C(Nc1ccc(C)c(C)c1)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN2/c1-15-12-13-18(14-16(15)2)27-24(19-8-4-6-10-21(19)25)23-17(3)26-22-11-7-5-9-20(22)23/h4-14,24,26-27H,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	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of 1,25(OH)2D3-induced VDR (unknown origin)-mediated CYP24A1 transcription expressed in HEK293T cells after 16 hrs by luciferase reporter ...				ACS Med Chem Lett 5: 199-204 (2014) Article DOI: 10.1021/ml400462j BindingDB Entry DOI: 10.7270/Q2KK9D8Q
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50446350 (CHEMBL3109604) Show SMILES COc1ccc(cc1)C(Nc1ccc(cc1)C(F)(F)F)c1c(C)[nH]c2ccccc12 Show InChI InChI=1S/C24H21F3N2O/c1-15-22(20-5-3-4-6-21(20)28-15)23(16-7-13-19(30-2)14-8-16)29-18-11-9-17(10-12-18)24(25,26)27/h3-14,23,28-29H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of 1,25(OH)2D3-induced VDR (unknown origin)-mediated CYP24A1 transcription expressed in HEK293T cells after 16 hrs by luciferase reporter ...				ACS Med Chem Lett 5: 199-204 (2014) Article DOI: 10.1021/ml400462j BindingDB Entry DOI: 10.7270/Q2KK9D8Q
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294969 (4-(3-(2,5-Dichloro-4-(hexylsulfonyl)phenyl)-3-oxop...) Show SMILES CCCCCCS(=O)(=O)c1cc(Cl)c(cc1Cl)C(=O)CCN1CCNC(=O)C1 Show InChI InChI=1S/C19H26Cl2N2O4S/c1-2-3-4-5-10-28(26,27)18-12-15(20)14(11-16(18)21)17(24)6-8-23-9-7-22-19(25)13-23/h11-12H,2-10,13H2,1H3,(H,22,25)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294964 (3-(4-Acetylpiperazin-1-yl)-1-(2,3-dichloro-4-(hexy...) Show SMILES CCCCCCOc1ccc(C(=O)CCN2CCN(CC2)C(C)=O)c(Cl)c1Cl Show InChI InChI=1S/C21H30Cl2N2O3/c1-3-4-5-6-15-28-19-8-7-17(20(22)21(19)23)18(27)9-10-24-11-13-25(14-12-24)16(2)26/h7-8H,3-6,9-15H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294967 (4-(3-(2,5-Dichloro-4-(hexylthio)phenyl)-3-oxopropy...) Show SMILES CCCCCCSc1cc(Cl)c(cc1Cl)C(=O)CCN1CCNC(=O)C1 Show InChI InChI=1S/C19H26Cl2N2O2S/c1-2-3-4-5-10-26-18-12-15(20)14(11-16(18)21)17(24)6-8-23-9-7-22-19(25)13-23/h11-12H,2-10,13H2,1H3,(H,22,25)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294966 (3-(4-Acetylpiperazin-1-yl)-1-(2-chloro-4-(hexylthi...) Show SMILES CCCCCCSc1ccc(C(=O)CCN2CCN(CC2)C(C)=O)c(Cl)c1 Show InChI InChI=1S/C21H31ClN2O2S/c1-3-4-5-6-15-27-18-7-8-19(20(22)16-18)21(26)9-10-23-11-13-24(14-12-23)17(2)25/h7-8,16H,3-6,9-15H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294965 (3-(4-acetylpiperazin-1-yl)-1-(2,6-dichloro-4-(hexy...) Show SMILES CCCCCCOc1cc(Cl)c(C(=O)CCN2CCN(CC2)C(C)=O)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O3/c1-3-4-5-6-13-28-17-14-18(22)21(19(23)15-17)20(27)7-8-24-9-11-25(12-10-24)16(2)26/h14-15H,3-13H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50294968 (1-(2-Chloro-4-(hexylsulfonyl)phenyl)-3-morpholinop...) Show SMILES CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C19H28ClNO4S/c1-2-3-4-5-14-26(23,24)16-6-7-17(18(20)15-16)19(22)8-9-21-10-12-25-13-11-21/h6-7,15H,2-5,8-14H2,1H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Hospital Curated by ChEMBL					Assay Description Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 52: 3892-901 (2009) Article DOI: 10.1021/jm9002704 BindingDB Entry DOI: 10.7270/Q2S75GCS
					More data for this Ligand-Target Pair

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