Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50038574   

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))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22913 (CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					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	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50261080 (N-(amino(4,6-dimethylpyrimidin-2-ylamino)methylene...) Show SMILES Cc1cc(C)nc(n1)[NH+]=C(N)NCCc1cnc[nH]1 |w:8.8| Show InChI InChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22883 (CHEMBL12344 | Dimaprit | [3-(carbamimidoylsulfanyl...) Show SMILES CN(C)CCCSC(N)=N Show InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50261081 ([amino({2-[(1Z)-4-{[4-(ethoxycarbonyl)phenyl]amino...) Show SMILES CCOC(=O)c1ccc(Nc2cc(O)c(N=[NH+]C(N)=N)c3ccccc23)cc1 |w:15.14| Show InChI InChI=1S/C20H19N5O3/c1-2-28-19(27)12-7-9-13(10-8-12)23-16-11-17(26)18(24-25-20(21)22)15-6-4-3-5-14(15)16/h3-11,23,26H,2H2,1H3,(H3,21,22)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					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	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50261079 ((4Z,6E)-2,10-diamino-5,7-dimethyl-1,3,4,8,9,11-hex...) Show SMILES [#6]-[#6](-[#6]-[#6](-[#6])=[#7]\[#7+]=[#6](\[#7])-[#7])=[#7]\[#7+]=[#6](\[#7])-[#7] |w:5.5,10.10| Show InChI InChI=1S/C7H16N8/c1-4(12-14-6(8)9)3-5(2)13-15-7(10)11/h3H2,1-2H3,(H4,8,9,14)(H4,10,11,15)/p+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	897	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50261037 ([amino({[6-({[amino(iminiumyl)methyl]amino}methyl)...) Show SMILES [#7]\[#6](-[#7])=[#7+]\[#6]-c1cccc(-[#6]\[#7+]=[#6](\[#7])-[#7])n1 Show InChI InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)/p+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50261036 ((E)-{amino[(Z)-2-(1-{12-[(1Z)-1-(2-methylcarbamimi...) Show SMILES CNC(N)=NN=C(C)c1ccc2sc3ccc(cc3c2c1)C(C)=N[NH+]=C(N)NC |w:5.4,2.2,23.26,25.28| Show InChI InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells				J Med Chem 51: 3145-53 (2008) Article DOI: 10.1021/jm7014777 BindingDB Entry DOI: 10.7270/Q2M046BP
					More data for this Ligand-Target Pair