Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'aleem' and Initial = 's'   

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
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50025098 (CHEMBL332551) Show SMILES Nc1nc(c(O)[nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8| Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363648 (CHEMBL1947252) Show SMILES COc1ccc(cc1OC)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:20.21,c:27| Show InChI InChI=1S/C19H19N5O4/c1-27-13-4-3-9(7-14(13)28-2)12-8-11-10(15-18(26)24-19(20)23-15)5-6-21-17(25)16(11)22-12/h3-4,7-8,22H,5-6H2,1-2H3,(H,21,25)(H3,20,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363647 (CHEMBL1947251) Show SMILES COc1ccc(cc1)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:18.19,c:25| Show InChI InChI=1S/C18H17N5O3/c1-26-10-4-2-9(3-5-10)13-8-12-11(14-17(25)23-18(19)22-14)6-7-20-16(24)15(12)21-13/h2-5,8,21H,6-7H2,1H3,(H,20,24)(H3,19,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363646 (CHEMBL1947250) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C17H15N5O2/c18-17-21-13(16(24)22-17)10-6-7-19-15(23)14-11(10)8-12(20-14)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H,19,23)(H3,18,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363649 (CHEMBL1947253) Show SMILES O=C1N=C(NCc2ccccc2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.16,t:2| Show InChI InChI=1S/C24H21N5O2/c30-22-21-18(13-19(27-21)16-9-5-2-6-10-16)17(11-12-25-22)20-23(31)29-24(28-20)26-14-15-7-3-1-4-8-15/h1-10,13,27H,11-12,14H2,(H,25,30)(H2,26,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24777 (5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...) Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8| Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50060898 (5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...) Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:9| Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H	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	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50594273 (CHEMBL181549) Show SMILES CC1=C(Br)C(=O)c2ccccc2C1=O |c:1| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50594274 (CHEMBL5182750) Show SMILES Oc1cc(CCl)c(O)c2C(=O)c3ccccc3C(=O)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50594272 (CHEMBL5179592) Show SMILES Oc1cccc2C(=O)C=C(Cl)C(=O)c12 |t:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363653 (CHEMBL1944822) Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4| Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363654 (CHEMBL1944823) Show SMILES CNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:8.19,t:2| Show InChI InChI=1S/C18H17N5O2/c1-19-18-22-14(17(25)23-18)11-7-8-20-16(24)15-12(11)9-13(21-15)10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,20,24)(H2,19,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50025098 (CHEMBL332551) Show SMILES Nc1nc(c(O)[nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8| Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363652 (CHEMBL1944821) Show SMILES CCOC(=O)CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.25,t:8| Show InChI InChI=1S/C22H23N5O4/c1-2-31-17(28)9-11-24-22-26-18(21(30)27-22)14-8-10-23-20(29)19-15(14)12-16(25-19)13-6-4-3-5-7-13/h3-7,12,25H,2,8-11H2,1H3,(H,23,29)(H2,24,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50060898 (5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...) Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:9| Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50594274 (CHEMBL5182750) Show SMILES Oc1cc(CCl)c(O)c2C(=O)c3ccccc3C(=O)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363650 (CHEMBL1947254) Show SMILES COc1ccc(CNC2=NC(=O)C(N2)=C2CCNC(=O)c3[nH]c(cc23)-c2ccccc2)cc1 |w:14.15,t:8| Show InChI InChI=1S/C25H23N5O3/c1-33-17-9-7-15(8-10-17)14-27-25-29-21(24(32)30-25)18-11-12-26-23(31)22-19(18)13-20(28-22)16-5-3-2-4-6-16/h2-10,13,28H,11-12,14H2,1H3,(H,26,31)(H2,27,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	588	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24777 (5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...) Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8| Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363647 (CHEMBL1947251) Show SMILES COc1ccc(cc1)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:18.19,c:25| Show InChI InChI=1S/C18H17N5O3/c1-26-10-4-2-9(3-5-10)13-8-12-11(14-17(25)23-18(19)22-14)6-7-20-16(24)15(12)21-13/h2-5,8,21H,6-7H2,1H3,(H,20,24)(H3,19,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	867	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363649 (CHEMBL1947253) Show SMILES O=C1N=C(NCc2ccccc2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.16,t:2| Show InChI InChI=1S/C24H21N5O2/c30-22-21-18(13-19(27-21)16-9-5-2-6-10-16)17(11-12-25-22)20-23(31)29-24(28-20)26-14-15-7-3-1-4-8-15/h1-10,13,27H,11-12,14H2,(H,25,30)(H2,26,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	905	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50594273 (CHEMBL181549) Show SMILES CC1=C(Br)C(=O)c2ccccc2C1=O |c:1| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363646 (CHEMBL1947250) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C17H15N5O2/c18-17-21-13(16(24)22-17)10-6-7-19-15(23)14-11(10)8-12(20-14)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H,19,23)(H3,18,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363651 (CHEMBL1947255) Show SMILES O=C1N=C(NC2CCCCC2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:13.25,t:2| Show InChI InChI=1S/C23H25N5O2/c29-21-20-17(13-18(26-20)14-7-3-1-4-8-14)16(11-12-24-21)19-22(30)28-23(27-19)25-15-9-5-2-6-10-15/h1,3-4,7-8,13,15,26H,2,5-6,9-12H2,(H,24,29)(H2,25,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363648 (CHEMBL1947252) Show SMILES COc1ccc(cc1OC)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:20.21,c:27| Show InChI InChI=1S/C19H19N5O4/c1-27-13-4-3-9(7-14(13)28-2)12-8-11-10(15-18(26)24-19(20)23-15)5-6-21-17(25)16(11)22-12/h3-4,7-8,22H,5-6H2,1-2H3,(H,21,25)(H3,20,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50594272 (CHEMBL5179592) Show SMILES Oc1cccc2C(=O)C=C(Cl)C(=O)c12 |t:8| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c01222 BindingDB Entry DOI: 10.7270/Q2T72NFX
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50553946 (CHEMBL4791523) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)cc2OCC=C)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FLT3 (unknown origin) in presence of ATP				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00699 BindingDB Entry DOI: 10.7270/Q22Z1957
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363654 (CHEMBL1944823) Show SMILES CNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:8.19,t:2| Show InChI InChI=1S/C18H17N5O2/c1-19-18-22-14(17(25)23-18)11-7-8-20-16(24)15-12(11)9-13(21-15)10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,20,24)(H2,19,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363650 (CHEMBL1947254) Show SMILES COc1ccc(CNC2=NC(=O)C(N2)=C2CCNC(=O)c3[nH]c(cc23)-c2ccccc2)cc1 |w:14.15,t:8| Show InChI InChI=1S/C25H23N5O3/c1-33-17-9-7-15(8-10-17)14-27-25-29-21(24(32)30-25)18-11-12-26-23(31)22-19(18)13-20(28-22)16-5-3-2-4-6-16/h2-10,13,28H,11-12,14H2,1H3,(H,26,31)(H2,27,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363651 (CHEMBL1947255) Show SMILES O=C1N=C(NC2CCCCC2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:13.25,t:2| Show InChI InChI=1S/C23H25N5O2/c29-21-20-17(13-18(26-20)14-7-3-1-4-8-14)16(11-12-24-21)19-22(30)28-23(27-19)25-15-9-5-2-6-10-15/h1,3-4,7-8,13,15,26H,2,5-6,9-12H2,(H,24,29)(H2,25,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363653 (CHEMBL1944822) Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4| Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363652 (CHEMBL1944821) Show SMILES CCOC(=O)CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.25,t:8| Show InChI InChI=1S/C22H23N5O4/c1-2-31-17(28)9-11-24-22-26-18(21(30)27-22)14-8-10-23-20(29)19-15(14)12-16(25-19)13-6-4-3-5-7-13/h3-7,12,25H,2,8-11H2,1H3,(H,23,29)(H2,24,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50360515 (CHEMBL262597) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OC)c(OC)c2)c(O)c1 Show InChI InChI=1S/C18H18O5/c1-21-13-6-7-14(16(20)11-13)15(19)8-4-12-5-9-17(22-2)18(10-12)23-3/h4-11,20H,1-3H3/b8-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FLT3 (unknown origin) in presence of ATP				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00699 BindingDB Entry DOI: 10.7270/Q22Z1957
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064644 (CHEMBL3403767) Show SMILES CC[C@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO3/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-24)23-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21,24H,4,14-15H2,1-3H3,(H,23,25)/t16-,17-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064643 (CHEMBL3403766) Show SMILES CC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO3/c1-15(2)14-25-19-11-9-18(10-12-19)20(13-23)22-21(24)16(3)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t16-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064646 (CHEMBL3403769) Show SMILES C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCO2)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO4/c1-15(16-5-3-2-4-6-16)21(24)22-20(13-23)17-7-9-18(10-8-17)26-14-19-11-12-25-19/h2-10,15,19-20,23H,11-14H2,1H3,(H,22,24)/t15-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064647 (CHEMBL3403770) Show SMILES CO[C@@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO4/c1-15(25-3)14-26-19-11-9-18(10-12-19)20(13-23)22-21(24)16(2)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t15-,16-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064648 (CHEMBL3403771) Show SMILES COCC(C)Oc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO4/c1-15(14-25-3)26-19-11-9-18(10-12-19)20(13-23)22-21(24)16(2)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t15?,16-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064649 (CHEMBL3403772) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064650 (CHEMBL3403773) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C24H31NO3/c1-3-7-17(2)16-28-20-12-10-19(11-13-20)23(15-26)25-24(27)22-14-21(22)18-8-5-4-6-9-18/h4-6,8-13,17,21-23,26H,3,7,14-16H2,1-2H3,(H,25,27)/t17?,21-,22+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064744 (CHEMBL3403774) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO3/c1-3-7-16(2)15-25-19-12-10-17(11-13-19)20(14-23)22-21(24)18-8-5-4-6-9-18/h4-6,8-13,16,20,23H,3,7,14-15H2,1-2H3,(H,22,24)/t16?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064745 (CHEMBL3403775) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H29NO3/c1-3-7-17(2)16-26-20-12-10-19(11-13-20)21(15-24)23-22(25)14-18-8-5-4-6-9-18/h4-6,8-13,17,21,24H,3,7,14-16H2,1-2H3,(H,23,25)/t17?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064746 (CHEMBL3400186) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)C(CO)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO4/c1-3-7-17(2)16-28-20-12-10-19(11-13-20)22(15-26)24-23(27)21(14-25)18-8-5-4-6-9-18/h4-6,8-13,17,21-22,25-26H,3,7,14-16H2,1-2H3,(H,24,27)/t17?,21?,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064747 (CHEMBL3403776) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](OC)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO4/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-25)24-23(26)22(27-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064748 (CHEMBL3403777) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](NC)c1ccccc1 |r| Show InChI InChI=1S/C23H32N2O3/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-26)25-23(27)22(24-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,24,26H,4,8,15-16H2,1-3H3,(H,25,27)/t17?,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064749 (CHEMBL3403778) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)N(CC)Cc1ccccc1 |r| Show InChI InChI=1S/C24H34N2O3/c1-4-9-19(3)18-29-22-14-12-21(13-15-22)23(17-27)25-24(28)26(5-2)16-20-10-7-6-8-11-20/h6-8,10-15,19,23,27H,4-5,9,16-18H2,1-3H3,(H,25,28)/t19?,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064750 (CHEMBL3403779) Show SMILES CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(C)(C)O |r| Show InChI InChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064751 (CHEMBL3403780) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H32N2O2/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26)/t17?,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 88 (Homo sapiens (Human))	BDBM50064752 (CHEMBL3403781) Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN(C)C)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...				Bioorg Med Chem Lett 25: 1448-52 (2015) Article DOI: 10.1016/j.bmcl.2015.01.036 BindingDB Entry DOI: 10.7270/Q2G44RZH
					More data for this Ligand-Target Pair

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