Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 4763   

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 H3 receptor (GUINEA PIG)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					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	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM81974 (4-[2-(1-Pyrrolidinyl)ethyl]-imidazole) Show SMILES C(Cc1cnc[nH]1)N1CCCC1 Show InChI InChI=1S/C9H15N3/c1-2-5-12(4-1)6-3-9-7-10-8-11-9/h7-8H,1-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM81972 ((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...) 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-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM81972 ((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...) 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-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					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	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Unité 109 Curated by PDSP Ki Database									Invest Radiol -2 (1988) Article DOI: 10.1097/00004424-198809001-00017 BindingDB Entry DOI: 10.7270/Q22R3Q5W
					More data for this Ligand-Target Pair