Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'jennings' and Initial = 'n'   

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
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315314 (8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...) Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine human recombinant histamine H4 receptor				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine human recombinant histamine H4 receptor				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine human recombinant histamine H4 receptor				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315348 ((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315348 ((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096734 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)NCc1ccc(O)cc1 Show InChI InChI=1S/C47H62F3N7O15/c1-24(2)19-30(41(68)56-33(22-47(48,49)50)38(66)44(71)51-23-26-11-13-28(58)14-12-26)55-45(72)39(46(4,5)6)57-43(70)31(20-27-10-8-7-9-25(27)3)54-40(67)29(15-17-35(60)61)53-42(69)32(21-37(64)65)52-34(59)16-18-36(62)63/h7-14,24,29-33,39,58H,15-23H2,1-6H3,(H,51,71)(H,52,59)(H,53,69)(H,54,67)(H,55,72)(H,56,68)(H,57,70)(H,60,61)(H,62,63)(H,64,65)/t29-,30-,31-,32-,33+,39+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096726 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C)c1ccc2ccccc2c1 Show InChI InChI=1S/C52H66F3N7O14/c1-27(2)22-35(46(72)61-38(26-52(53,54)55)43(70)49(75)56-29(4)32-17-16-30-13-10-11-15-33(30)23-32)60-50(76)44(51(5,6)7)62-48(74)36(24-31-14-9-8-12-28(31)3)59-45(71)34(18-20-40(64)65)58-47(73)37(25-42(68)69)57-39(63)19-21-41(66)67/h8-17,23,27,29,34-38,44H,18-22,24-26H2,1-7H3,(H,56,75)(H,57,63)(H,58,73)(H,59,71)(H,60,76)(H,61,72)(H,62,74)(H,64,65)(H,66,67)(H,68,69)/t29-,34-,35-,36-,37-,38+,44+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096729 ((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Benzylaminooxaly...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C47H62F3N7O14/c1-25(2)20-30(41(67)56-33(23-47(48,49)50)38(65)44(70)51-24-27-13-8-7-9-14-27)55-45(71)39(46(4,5)6)57-43(69)31(21-28-15-11-10-12-26(28)3)54-40(66)29(16-18-35(59)60)53-42(68)32(22-37(63)64)52-34(58)17-19-36(61)62/h7-15,25,29-33,39H,16-24H2,1-6H3,(H,51,70)(H,52,58)(H,53,68)(H,54,66)(H,55,71)(H,56,67)(H,57,69)(H,59,60)(H,61,62)(H,63,64)/t29-,30-,31-,32-,33+,39+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096730 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C48H64F3N7O14/c1-25(2)21-31(42(68)57-34(24-48(49,50)51)39(66)45(71)52-27(4)28-14-9-8-10-15-28)56-46(72)40(47(5,6)7)58-44(70)32(22-29-16-12-11-13-26(29)3)55-41(67)30(17-19-36(60)61)54-43(69)33(23-38(64)65)53-35(59)18-20-37(62)63/h8-16,25,27,30-34,40H,17-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t27-,30-,31-,32-,33-,34+,40+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315349 ((S)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...) Show SMILES CN[C@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096727 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) Show SMILES COc1cccc(CNC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1 Show InChI InChI=1S/C48H64F3N7O15/c1-25(2)19-31(42(68)57-34(23-48(49,50)51)39(66)45(71)52-24-27-12-10-14-29(20-27)73-7)56-46(72)40(47(4,5)6)58-44(70)32(21-28-13-9-8-11-26(28)3)55-41(67)30(15-17-36(60)61)54-43(69)33(22-38(64)65)53-35(59)16-18-37(62)63/h8-14,20,25,30-34,40H,15-19,21-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t30-,31-,32-,33-,34+,40+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096728 ((S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Amino-2-carbamoy...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](N)C(=O)C(N)=O Show InChI InChI=1S/C38H56N8O14/c1-18(2)15-22(36(59)46-31(39)29(54)32(40)55)44-37(60)30(38(4,5)6)45-35(58)23(16-20-10-8-7-9-19(20)3)43-33(56)21(11-13-26(48)49)42-34(57)24(17-28(52)53)41-25(47)12-14-27(50)51/h7-10,18,21-24,30-31H,11-17,39H2,1-6H3,(H2,40,55)(H,41,47)(H,42,57)(H,43,56)(H,44,60)(H,45,58)(H,46,59)(H,48,49)(H,50,51)(H,52,53)/t21-,22-,23-,24-,30+,31-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096733 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C49H66F3N7O14/c1-8-30(28-15-10-9-11-16-28)54-46(72)40(67)35(25-49(50,51)52)58-43(69)32(22-26(2)3)57-47(73)41(48(5,6)7)59-45(71)33(23-29-17-13-12-14-27(29)4)56-42(68)31(18-20-37(61)62)55-44(70)34(24-39(65)66)53-36(60)19-21-38(63)64/h9-17,26,30-35,41H,8,18-25H2,1-7H3,(H,53,60)(H,54,72)(H,55,70)(H,56,68)(H,57,73)(H,58,69)(H,59,71)(H,61,62)(H,63,64)(H,65,66)/t30-,31-,32-,33-,34-,35+,41+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096725 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C(C)C)c1ccccc1 Show InChI InChI=1S/C50H68F3N7O14/c1-26(2)22-32(44(70)58-35(25-50(51,52)53)41(68)47(73)59-40(27(3)4)29-15-10-9-11-16-29)57-48(74)42(49(6,7)8)60-46(72)33(23-30-17-13-12-14-28(30)5)56-43(69)31(18-20-37(62)63)55-45(71)34(24-39(66)67)54-36(61)19-21-38(64)65/h9-17,26-27,31-35,40,42H,18-25H2,1-8H3,(H,54,61)(H,55,71)(H,56,69)(H,57,74)(H,58,70)(H,59,73)(H,60,72)(H,62,63)(H,64,65)(H,66,67)/t31-,32-,33-,34-,35+,40-,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against delta receptor of (endomorphin 2) in mouse vas deferens was determined				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096732 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C53H68F3N7O14/c1-8-34(33-18-17-30-14-11-12-16-32(30)24-33)58-50(76)44(71)39(27-53(54,55)56)62-47(73)36(23-28(2)3)61-51(77)45(52(5,6)7)63-49(75)37(25-31-15-10-9-13-29(31)4)60-46(72)35(19-21-41(65)66)59-48(74)38(26-43(69)70)57-40(64)20-22-42(67)68/h9-18,24,28,34-39,45H,8,19-23,25-27H2,1-7H3,(H,57,64)(H,58,76)(H,59,74)(H,60,72)(H,61,77)(H,62,73)(H,63,75)(H,65,66)(H,67,68)(H,69,70)/t34-,35-,36-,37-,38-,39+,45+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096724 ((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...) Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315349 ((S)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...) Show SMILES CN[C@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315314 (8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...) Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315333 ((R)-N-methyl-1-(8-(trifluoromethyl)benzofuro[3,2-d...) Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(ccc3oc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-20-10-4-5-23(7-10)15-14-13(21-8-22-15)11-6-9(16(17,18)19)2-3-12(11)24-14/h2-3,6,8,10,20H,4-5,7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315323 ((R)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...) Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315339 (8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)benzof...) Show SMILES CN1CCN(CC1)c1nc(C)nc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315342 (8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluorome...) Show SMILES CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(F)(F)F Show InChI InChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315323 ((R)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...) Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315317 (8-chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2....) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C16H15ClN4O/c1-20-6-11-5-10(20)7-21(11)16-15-14(18-8-19-16)12-4-9(17)2-3-13(12)22-15/h2-4,8,10-11H,5-7H2,1H3/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315331 (1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-methy...) Show SMILES CNC1CN(C1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C14H13ClN4O/c1-16-9-5-19(6-9)14-13-12(17-7-18-14)10-4-8(15)2-3-11(10)20-13/h2-4,7,9,16H,5-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315342 (8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluorome...) Show SMILES CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(F)(F)F Show InChI InChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315332 ((R)-N-methyl-1-(8-methylbenzofuro[3,2-d]pyrimidin-...) Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c1oc1ccc(C)cc21 |r| Show InChI InChI=1S/C16H18N4O/c1-10-3-4-13-12(7-10)14-15(21-13)16(19-9-18-14)20-6-5-11(8-20)17-2/h3-4,7,9,11,17H,5-6,8H2,1-2H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315331 (1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-methy...) Show SMILES CNC1CN(C1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C14H13ClN4O/c1-16-9-5-19(6-9)14-13-12(17-7-18-14)10-4-8(15)2-3-11(10)20-13/h2-4,7,9,16H,5-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315347 (8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)benzo...) Show SMILES COc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1 Show InChI InChI=1S/C16H17ClN4O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(19-15)22-2)11-9-10(17)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315322 (1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-methy...) Show SMILES CNC1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315317 (8-chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2....) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C16H15ClN4O/c1-20-6-11-5-10(20)7-21(11)16-15-14(18-8-19-16)12-4-9(17)2-3-13(12)22-15/h2-4,8,10-11H,5-7H2,1H3/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315325 (1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)pyrrolid...) Show SMILES NC1CCN(C1)c1ncnc2c1oc1ccc(Cl)cc21 Show InChI InChI=1S/C14H13ClN4O/c15-8-1-2-11-10(5-8)12-13(20-11)14(18-7-17-12)19-4-3-9(16)6-19/h1-2,5,7,9H,3-4,6,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315318 (8-chloro-4-(5-methyl-2,5-diazabicyclo[2.2.2]octan-...) Show SMILES CN1CC2CCC1CN2c1ncnc2c1oc1ccc(Cl)cc21 Show InChI InChI=1S/C17H17ClN4O/c1-21-7-12-4-3-11(21)8-22(12)17-16-15(19-9-20-17)13-6-10(18)2-5-14(13)23-16/h2,5-6,9,11-12H,3-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315338 ((R)-1-(7-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...) Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3ccc(Cl)cc3oc12 |r| Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-3-2-9(16)6-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315320 (8-chloro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-y...) Show SMILES Clc1ccc2oc3c(ncnc3c2c1)N1CCN2CCCC2C1 Show InChI InChI=1S/C17H17ClN4O/c18-11-3-4-14-13(8-11)15-16(23-14)17(20-10-19-15)22-7-6-21-5-1-2-12(21)9-22/h3-4,8,10,12H,1-2,5-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315324 ((S)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...) Show SMILES CN[C@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315324 ((S)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...) Show SMILES CN[C@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50096724 ((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...) Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Compound was tested for inhibition of Serine protease chymotrypsin				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315344 (8-chloro-2-cyclopropyl-4-(4-methylpiperazin-1-yl)b...) Show SMILES CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C1CC1 Show InChI InChI=1S/C18H19ClN4O/c1-22-6-8-23(9-7-22)18-16-15(20-17(21-18)11-2-3-11)13-10-12(19)4-5-14(13)24-16/h4-5,10-11H,2-3,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315319 (8-chloro-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-...) Show SMILES CN1C2CCC1CN(C2)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C17H17ClN4O/c1-21-11-3-4-12(21)8-22(7-11)17-16-15(19-9-20-17)13-6-10(18)2-5-14(13)23-16/h2,5-6,9,11-12H,3-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315346 (8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...) Show SMILES CN1CCN(CC1)c1[nH]c(=O)nc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C15H15ClN4O2/c1-19-4-6-20(7-5-19)14-13-12(17-15(21)18-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50096731 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C48H64F3N7O14/c1-25(2)21-31(42(68)57-34(24-48(49,50)51)39(66)45(71)52-27(4)28-14-9-8-10-15-28)56-46(72)40(47(5,6)7)58-44(70)32(22-29-16-12-11-13-26(29)3)55-41(67)30(17-19-36(60)61)54-43(69)33(23-38(64)65)53-35(59)18-20-37(62)63/h8-16,25,27,30-34,40H,17-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t27-,30+,31+,32+,33+,34-,40-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315328 (8-chloro-4-(tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(...) Show SMILES Clc1ccc2oc3c(ncnc3c2c1)N1CC2CCCNC2C1 Show InChI InChI=1S/C17H17ClN4O/c18-11-3-4-14-12(6-11)15-16(23-14)17(21-9-20-15)22-7-10-2-1-5-19-13(10)8-22/h3-4,6,9-10,13,19H,1-2,5,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315327 (1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N,3-dim...) Show SMILES CNC1(C)CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C16H17ClN4O/c1-16(18-2)5-6-21(8-16)15-14-13(19-9-20-15)11-7-10(17)3-4-12(11)22-14/h3-4,7,9,18H,5-6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315340 (1-(8-chloro-2-methylbenzofuro[3,2-d]pyrimidin-4-yl...) Show SMILES CNC1CCN(C1)c1nc(C)nc2c3cc(Cl)ccc3oc12 Show InChI InChI=1S/C16H17ClN4O/c1-9-19-14-12-7-10(17)3-4-13(12)22-15(14)16(20-9)21-6-5-11(8-21)18-2/h3-4,7,11,18H,5-6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315315 (8-chloro-4-(3,4-dimethylpiperazin-1-yl)benzofuro[3...) Show SMILES CC1CN(CCN1C)c1ncnc2c1oc1ccc(Cl)cc21 Show InChI InChI=1S/C16H17ClN4O/c1-10-8-21(6-5-20(10)2)16-15-14(18-9-19-16)12-7-11(17)3-4-13(12)22-15/h3-4,7,9-10H,5-6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50315348 ((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r| Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315336 (4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]...) Show SMILES CNC1CCN(C1)c1ncnc2c3cc(ccc3oc12)C#N Show InChI InChI=1S/C16H15N5O/c1-18-11-4-5-21(8-11)16-15-14(19-9-20-16)12-6-10(7-17)2-3-13(12)22-15/h2-3,6,9,11,18H,4-5,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315345 (8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...) Show SMILES CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(O)=O Show InChI InChI=1S/C16H15ClN4O3/c1-20-4-6-21(7-5-20)15-13-12(18-14(19-15)16(22)23)10-8-9(17)2-3-11(10)24-13/h2-3,8H,4-7H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50315334 (CHEMBL1089166 | N-methyl-1-(8-phenylbenzofuro[3,2-...) Show SMILES CNC1CCN(C1)c1ncnc2c1oc1ccc(cc21)-c1ccccc1 Show InChI InChI=1S/C21H20N4O/c1-22-16-9-10-25(12-16)21-20-19(23-13-24-21)17-11-15(7-8-18(17)26-20)14-5-3-2-4-6-14/h2-8,11,13,16,22H,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 2516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.097 BindingDB Entry DOI: 10.7270/Q2CN74V3
					More data for this Ligand-Target Pair

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