BDBM154582 6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methyl)phenyl]pyridine-3-carboxylic acid (Compound 2)

SMILES: C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12

InChI Key: InChIKey=IVXJMWGSLJKPFD-MRXNPFEDSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 154582   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
AMP deaminase 1 (hAMPD1) (Homo sapiens (Human))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (rAMPD1) (Rattus norvegicus (Rat))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (mAMPD1) (Mus musculus (Mouse))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 3 (rAMPD3) (Rattus norvegicus (Rat))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 2 (rAMPD2) (Rattus norvegicus (Rat))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 3 (hAMPD3) (Homo sapiens (Human))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens (Human))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair