Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 5333   

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
Hrh3 protein (RAT)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 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	PubMed	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM85830 (VUF5202) Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22912 (VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...) Show SMILES NC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 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	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM22908 (4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...) Show SMILES NCCCCCc1cnc[nH]1 Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22908 (4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...) Show SMILES NCCCCCc1cnc[nH]1 Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	5.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 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	PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM85832 (VUF5300) Show SMILES C(CCN1CCCCC1)CCc1cnc[nH]1 Show InChI InChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM85829 (VUF4903) Show SMILES C(CCNC1CCCCC1)CCc1cnc[nH]1 Show InChI InChI=1S/C14H25N3/c1-3-7-13(8-4-1)16-10-6-2-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM85828 (VUF4904) Show SMILES CC(C)NCCCCCc1cnc[nH]1 Show InChI InChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM85831 (VUF5207) Show SMILES CN(C)CCCCCc1cnc[nH]1 Show InChI InChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM22888 (1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...) Show SMILES CNC(=S)NCCCCc1cnc[nH]1 Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 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	PubMed	66.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22888 (1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...) Show SMILES CNC(=S)NCCCCc1cnc[nH]1 Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	77.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 908-14 (2001) BindingDB Entry DOI: 10.7270/Q2JS9P1N
					More data for this Ligand-Target Pair