Compile Data Set for Download or QSAR

Found 1303 hits with Last Name = 'nuss' and Initial = 'm'   

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)	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.654	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 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	2.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 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	2.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	2.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	3.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	22.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	47.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	Article PubMed	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	62.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					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	Article PubMed	72.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	89.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	734	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 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	7.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...				ACS Med Chem Lett 3: 416-421 (2012) Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50243389 (CHEMBL3185148) Show SMILES Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)	PDB MMDB NCI pathway 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313013 (CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...) Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB 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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of Flt3				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50391802 ((3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl...) Show SMILES OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...				ACS Med Chem Lett 3: 416-421 (2012) Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50402421 (CHEMBL2208035) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C25H26N6O3/c32-23-10-9-22(29-23)24(33)27-18-3-1-17(2-4-18)21-11-12-26-25(30-21)28-19-5-7-20(8-6-19)31-13-15-34-16-14-31/h1-8,11-12,22H,9-10,13-16H2,(H,27,33)(H,29,32)(H,26,28,30)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50380931 (CHEMBL2016886) Show SMILES CC(C)COc1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C26H37BrN8O/c1-18(2)16-36-20-14-21(28-6-9-33-7-4-5-8-33)19(3)22(15-20)34-10-12-35(13-11-34)26-23-24(27)31-32-25(23)29-17-30-26/h14-15,17-18,28H,4-13,16H2,1-3H3,(H,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50380935 (CHEMBL2016887) Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H34BrN9O/c1-20-23(31-9-12-37-10-5-6-11-37)17-21(29(40)34-22-7-3-2-4-8-22)18-24(20)38-13-15-39(16-14-38)28-25-26(30)35-36-27(25)32-19-33-28/h2-4,7-8,17-19,31H,5-6,9-16H2,1H3,(H,34,40)(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50380929 (CHEMBL2016892) Show SMILES CCC(=O)c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H33BrN8O/c1-3-21(35)18-14-19(27-6-9-32-7-4-5-8-32)17(2)20(15-18)33-10-12-34(13-11-33)25-22-23(26)30-31-24(22)28-16-29-25/h14-16,27H,3-13H2,1-2H3,(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50380939 (CHEMBL2016893) Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)CCC(F)(F)F Show InChI InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50272192 (4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...) Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50068561 ((16E,24E,26E,28E)-1,18-Dihydroxy-12-[2-(4-hydroxy-...) Show SMILES CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C52H81NO14/c1-30-17-13-12-14-18-31(2)41(62-8)29-45-44(64-10)26-36(7)52(61,67-45)49(58)50(59)53-22-16-15-19-38(53)51(60)66-42(33(4)25-37-20-21-39(54)43(27-37)63-9)28-40(55)32(3)24-35(6)47(57)48(65-11)46(56)34(5)23-30/h12-14,17-18,24,30,32-34,36-39,41-45,47-48,54,57,61H,15-16,19-23,25-29H2,1-11H3/b14-12+,17-13+,31-18+,35-24+/t30-,32-,33?,34-,36-,37+,38+,39-,41+,42+,43-,44+,45-,47+,48+,52-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against FKBP12				Bioorg Med Chem Lett 15: 5340-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.106 BindingDB Entry DOI: 10.7270/Q2V40TRJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50402413 (CHEMBL2208032) Show SMILES C[C@@H](N)C(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C23H26N6O2/c1-16(24)22(30)26-18-4-2-17(3-5-18)21-10-11-25-23(28-21)27-19-6-8-20(9-7-19)29-12-14-31-15-13-29/h2-11,16H,12-15,24H2,1H3,(H,26,30)(H,25,27,28)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50391804 (CHEMBL2146893) Show SMILES CC(C)NCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H21F3IN3O2/c1-11(2)25-8-20(29)9-27(10-20)19(28)13-4-5-14(21)17(23)18(13)26-16-6-3-12(24)7-15(16)22/h3-7,11,25-26,29H,8-10H2,1-2H3	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...				ACS Med Chem Lett 3: 416-421 (2012) Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80
					More data for this Ligand-Target Pair

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