Compile Data Set for Download or QSAR

Found 572 hits with Last Name = 'isaac' and Initial = 'mb'   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098551 ((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...) Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)| Show InChI InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116963 (2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20| Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116967 (2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...) Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1 Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116960 (2-[2-(6-Trifluoromethyl-indol-1-yl)-ethyl]-decahyd...) Show SMILES FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1 Show InChI InChI=1S/C20H26F3N3/c21-20(22,23)17-6-5-16-7-11-26(19(16)14-17)13-12-24-8-3-10-25-9-2-1-4-18(25)15-24/h5-7,11,14,18H,1-4,8-10,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116971 (6-Bromo-1-[2-(4-cyclopropylmethyl-[1,4]diazepan-1-...) Show SMILES Brc1ccc2ccn(CCN3CCCN(CC4CC4)CC3)c2c1 Show InChI InChI=1S/C19H26BrN3/c20-18-5-4-17-6-9-23(19(17)14-18)13-12-21-7-1-8-22(11-10-21)15-16-2-3-16/h4-6,9,14,16H,1-3,7-8,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116951 (2-[2-(6-Chloro-indol-1-yl)-ethyl]-decahydro-pyrido...) Show SMILES Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1 Show InChI InChI=1S/C19H26ClN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116970 (6-Bromo-1-[2-(4-cyclopentyl-[1,4]diazepan-1-yl)-et...) Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCC3)c2c1 Show InChI InChI=1S/C20H28BrN3/c21-18-7-6-17-8-11-24(20(17)16-18)15-13-22-9-3-10-23(14-12-22)19-4-1-2-5-19/h6-8,11,16,19H,1-5,9-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116943 (6-Bromo-1-[2-(4-isopropyl-[1,4]diazepan-1-yl)-ethy...) Show SMILES CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1 Show InChI InChI=1S/C18H26BrN3/c1-15(2)21-8-3-7-20(10-12-21)11-13-22-9-6-16-4-5-17(19)14-18(16)22/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116964 (6-Bromo-1-[2-(4-cyclopropyl-[1,4]diazepan-1-yl)-et...) Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CC3)c2c1 Show InChI InChI=1S/C18H24BrN3/c19-16-3-2-15-6-9-22(18(15)14-16)13-11-20-7-1-8-21(12-10-20)17-4-5-17/h2-3,6,9,14,17H,1,4-5,7-8,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116944 (6-Bromo-1-[2-(4-cyclohexyl-[1,4]diazepan-1-yl)-eth...) Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C21H30BrN3/c22-19-8-7-18-9-12-25(21(18)17-19)16-14-23-10-4-11-24(15-13-23)20-5-2-1-3-6-20/h7-9,12,17,20H,1-6,10-11,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116966 (1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-triflu...) Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C17H22F3N3/c1-21-6-2-7-22(10-9-21)11-12-23-8-5-14-3-4-15(13-16(14)23)17(18,19)20/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116958 (6-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...) Show SMILES CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1 Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098550 (3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin...) Show SMILES C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116965 (6-Chloro-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...) Show SMILES CN1CCCN(CCn2ccc3ccc(Cl)cc23)CC1 Show InChI InChI=1S/C16H22ClN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116950 (6-Bromo-1-[2-(4-isobutyl-[1,4]diazepan-1-yl)-ethyl...) Show SMILES CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1 Show InChI InChI=1S/C19H28BrN3/c1-16(2)15-22-8-3-7-21(10-11-22)12-13-23-9-6-17-4-5-18(20)14-19(17)23/h4-6,9,14,16H,3,7-8,10-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116956 (6-Isopropenyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-e...) Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C(C)=C)CC1 Show InChI InChI=1S/C19H27N3/c1-16(2)18-6-5-17-7-10-22(19(17)15-18)14-13-21-9-4-8-20(3)11-12-21/h5-7,10,15H,1,4,8-9,11-14H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116952 (2-[2-(6-Bromo-indol-1-yl)-ethyl]-octahydro-pyrido[...) Show SMILES Brc1ccc2ccn(CCN3CCN4CCCCC4C3)c2c1 Show InChI InChI=1S/C18H24BrN3/c19-16-5-4-15-6-8-22(18(15)13-16)12-10-20-9-11-21-7-2-1-3-17(21)14-20/h4-6,8,13,17H,1-3,7,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116955 (5-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...) Show SMILES CN1CCCN(CCn2ccc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-13-15(17)3-4-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116962 (1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-thioph...) Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)-c2ccsc2)CC1 Show InChI InChI=1S/C20H25N3S/c1-21-7-2-8-22(11-10-21)12-13-23-9-5-17-3-4-18(15-20(17)23)19-6-14-24-16-19/h3-6,9,14-16H,2,7-8,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116948 (1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-vinyl-...) Show SMILES CN1CCCN(CCn2ccc3ccc(C=C)cc23)CC1 Show InChI InChI=1S/C18H25N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h3,5-7,10,15H,1,4,8-9,11-14H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116945 (6-Methyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...) Show SMILES CN1CCCN(CCn2ccc3ccc(C)cc23)CC1 Show InChI InChI=1S/C17H25N3/c1-15-4-5-16-6-9-20(17(16)14-15)13-12-19-8-3-7-18(2)10-11-19/h4-6,9,14H,3,7-8,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116959 (1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-nitro-...) Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)[N+]([O-])=O)CC1 Show InChI InChI=1S/C16H22N4O2/c1-17-6-2-7-18(10-9-17)11-12-19-8-5-14-3-4-15(20(21)22)13-16(14)19/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116947 (6-Ethynyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl...) Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C#C)CC1 Show InChI InChI=1S/C18H23N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h1,5-7,10,15H,4,8-9,11-14H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116949 (6-Isopropyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-eth...) Show SMILES CC(C)c1ccc2ccn(CCN3CCCN(C)CC3)c2c1 Show InChI InChI=1S/C19H29N3/c1-16(2)18-6-5-17-7-10-22(19(17)15-18)14-13-21-9-4-8-20(3)11-12-21/h5-7,10,15-16H,4,8-9,11-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116968 (2-[2-(5-Bromo-indol-1-yl)-ethyl]-octahydro-pyrido[...) Show SMILES Brc1ccc2n(CCN3CCN4CCCCC4C3)ccc2c1 Show InChI InChI=1S/C18H24BrN3/c19-16-4-5-18-15(13-16)6-8-22(18)12-10-20-9-11-21-7-2-1-3-17(21)14-20/h4-6,8,13,17H,1-3,7,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116961 (6-Bromo-1-{2-[4-(2,2-dimethyl-propyl)-[1,4]diazepa...) Show SMILES CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1 Show InChI InChI=1S/C20H30BrN3/c1-20(2,3)16-23-9-4-8-22(11-12-23)13-14-24-10-7-17-5-6-18(21)15-19(17)24/h5-7,10,15H,4,8-9,11-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116946 (6-Ethyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...) Show SMILES CCc1ccc2ccn(CCN3CCCN(C)CC3)c2c1 Show InChI InChI=1S/C18H27N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h5-7,10,15H,3-4,8-9,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116954 (6-Benzyloxy-1-[2-(4-methyl-[1,4]diazepan-1-yl)-eth...) Show SMILES CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc23)CC1 Show InChI InChI=1S/C23H29N3O/c1-24-11-5-12-25(15-14-24)16-17-26-13-10-21-8-9-22(18-23(21)26)27-19-20-6-3-2-4-7-20/h2-4,6-10,13,18H,5,11-12,14-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116953 (6-Fluoro-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...) Show SMILES CN1CCCN(CCn2ccc3ccc(F)cc23)CC1 Show InChI InChI=1S/C16H22FN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116957 (6-Methoxy-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl...) Show SMILES COc1ccc2ccn(CCN3CCCN(C)CC3)c2c1 Show InChI InChI=1S/C17H25N3O/c1-18-7-3-8-19(11-10-18)12-13-20-9-6-15-4-5-16(21-2)14-17(15)20/h4-6,9,14H,3,7-8,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50116967 (2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...) Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1 Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound wastested for its binding affinity towards 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528195 (CHEMBL4435320) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 R258G mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528203 (CHEMBL4434694) Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528195 (CHEMBL4435320) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544399 (CHEMBL4638273) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528209 (CHEMBL4526828) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2C[C@H](C)N(C)[C@H](C)C2)c1C |r| Show InChI InChI=1S/C28H34N4O3/c1-17-15-32(16-18(2)31(17)4)22-9-7-20(8-10-22)23-13-30-14-24(19(23)3)21-11-25(34-5)27(28(29)33)26(12-21)35-6/h7-14,17-18H,15-16H2,1-6H3,(H2,29,33)/t17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528190 (CHEMBL4548795) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528195 (CHEMBL4435320) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528196 (CHEMBL4575655) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27FN4O2/c1-16-20(17-4-6-19(7-5-17)30-10-8-29(2)9-11-30)14-28-15-21(16)18-12-22(26)24(25(27)31)23(13-18)32-3/h4-7,12-15H,8-11H2,1-3H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 6 (Homo sapiens (Human))	BDBM50566950 (CHEMBL4852125) Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 6 (Homo sapiens (Human))	BDBM50566949 (CHEMBL4877302) Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK6 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544408 (CHEMBL4641207) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C Show InChI InChI=1S/C28H34N4O4/c1-19-23(17-29-18-24(19)21-15-25(34-4)27(36-6)26(16-21)35-5)20-7-9-22(10-8-20)31-11-13-32(14-12-31)28(33)30(2)3/h7-10,15-18H,11-14H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528203 (CHEMBL4434694) Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 R258G mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528195 (CHEMBL4435320) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544414 (CHEMBL4641530) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C26H28N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-9,13-16,27H,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528188 (CHEMBL4553210) Show SMILES COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528203 (CHEMBL4434694) Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528204 (CHEMBL4565968) Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H28N4O3/c1-16-20(17-4-6-19(7-5-17)29-10-8-27-9-11-29)14-28-15-21(16)18-12-22(31-2)24(25(26)30)23(13-18)32-3/h4-7,12-15,27H,8-11H2,1-3H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1
					More data for this Ligand-Target Pair

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