Compile Data Set for Download or QSAR

Found 3523 hits with Last Name = 'jana' 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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546980 (CHEMBL4792513) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546969 (CHEMBL4786682 | US11247971, Cmpd ID 409) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCCO)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway 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
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM537077 (US11247971, Cmpd ID 400) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway 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
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489090 (2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCCO3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-7-6-18(13-25(21)41-14-19-2-1-9-40-19)27-20(10-17-5-8-26(22(31)11-17)43(32,38)39)24(12-16-3-4-16)35(34-27)29-33-23(15-42-29)28(36)37/h5-8,11,13,15-16,19H,1-4,9-10,12,14H2,(H,36,37)(H2,32,38,39)	PDB MMDB Reactome pathway 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
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489091 (2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCOC3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-5-4-19(12-25(21)41-14-18-7-8-40-13-18)27-20(9-17-3-6-26(22(31)10-17)43(32,38)39)24(11-16-1-2-16)35(34-27)29-33-23(15-42-29)28(36)37/h3-6,10,12,15-16,18H,1-2,7-9,11,13-14H2,(H,36,37)(H2,32,38,39)	PDB MMDB Reactome pathway 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
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546981 (CHEMBL4797357) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway 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
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM338879 (US9751888, Compound 70) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-3-10-27-22(20)30)18-12-14-4-2-5-17(25)19(14)24(34)31(18)15-6-8-16(32)9-7-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489160 (2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...) Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546978 (CHEMBL4752940) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2COC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546975 (CHEMBL4749903) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCCC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50569440 (CHEMBL4877988 | US11752138, Compound 152) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546979 (CHEMBL4747300 | US11247971, Cmpd ID 423) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCOC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546977 (CHEMBL4759378) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2COC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546989 (CHEMBL4759499 | US11247971, Cmpd ID 417) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCN2CCCC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489161 (2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489092 (2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM536955 (US11247971, Cmpd ID 278) Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546970 (CHEMBL4783945 | US11247971, Cmpd ID 404) Show SMILES COCC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546998 (CHEMBL4790159 | US11247971, Cmpd ID 405) Show SMILES Cn1cncc1C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50547000 (CHEMBL4783252 | US11247971, Cmpd ID 270) Show SMILES CC#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546999 (CHEMBL4786717) Show SMILES Cn1cc(cn1)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546990 (CHEMBL4794789) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCC2CCCO2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546963 (CHEMBL4760911 | US11247971, Cmpd ID 410) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#C)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546971 (CHEMBL4777867 | US11247971, Cmpd ID 262) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546976 (CHEMBL4751495) Show SMILES CC(C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O)C1COC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302809 (2-(3-Chlorophenyl)-N5- (4-cyano-3- (trifluorometho...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(OC(F)(F)F)c1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H16ClF3N6O3/c23-14-3-1-2-12(8-14)19-18(20(28)33)16-11-31(6-7-32(16)30-19)21(34)29-15-5-4-13(10-27)17(9-15)35-22(24,25)26/h1-5,8-9H,6-7,11H2,(H2,28,33)(H,29,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302810 (2-(3-Chlorophenyl)-N5- (4-cyano-3- methoxyphenyl)-...) Show SMILES COc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H19ClN6O3/c1-32-18-10-16(6-5-14(18)11-24)26-22(31)28-7-8-29-17(12-28)19(21(25)30)20(27-29)13-3-2-4-15(23)9-13/h2-6,9-10H,7-8,12H2,1H3,(H2,25,30)(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302436 (N5-Cyclohexyl-2-(4-fluorophenyl)-6,7- dihydropyraz...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H24FN5O2/c21-14-8-6-13(7-9-14)18-17(19(22)27)16-12-25(10-11-26(16)24-18)20(28)23-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H2,22,27)(H,23,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302440 (N5-Cyclohexyl-2-(3- fluorophenyl)-6,7- dihydropyra...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H24FN5O2/c21-14-6-4-5-13(11-14)18-17(19(22)27)16-12-25(9-10-26(16)24-18)20(28)23-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H2,22,27)(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302440 (N5-Cyclohexyl-2-(3- fluorophenyl)-6,7- dihydropyra...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H24FN5O2/c21-14-6-4-5-13(11-14)18-17(19(22)27)16-12-25(9-10-26(16)24-18)20(28)23-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H2,22,27)(H,23,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302776 (2-(3-Chlorophenyl)-N5- (3,5-dichlorophenyl)-7- (hy...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C21H18Cl3N5O3/c22-12-3-1-2-11(4-12)19-18(20(25)31)17-9-28(8-16(10-30)29(17)27-19)21(32)26-15-6-13(23)5-14(24)7-15/h1-7,16,30H,8-10H2,(H2,25,31)(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302839 (2-(3-Chloro-4-fluorophenyl)-N5-(4-cyanophenyl)-7-e...) Show SMILES CC[C@@H]1CN(Cc2c(C(N)=O)c(nn12)-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H20ClFN6O2/c1-2-16-11-30(23(33)28-15-6-3-13(10-26)4-7-15)12-19-20(22(27)32)21(29-31(16)19)14-5-8-18(25)17(24)9-14/h3-9,16H,2,11-12H2,1H3,(H2,27,32)(H,28,33)/t16-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302473 (N5-(2-Fluoro-5- (trifluoromethyl)phenyl)- 2-(3-flu...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H16F5N5O2/c22-13-3-1-2-11(8-13)18-17(19(27)32)16-10-30(6-7-31(16)29-18)20(33)28-15-9-12(21(24,25)26)4-5-14(15)23/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302527 (2-(3-Fluorophenyl)-N5-(3- (methylsulfonyl)phenyl)-...) Show SMILES Cc1cccc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(F)c2)c1 Show InChI InChI=1S/C21H20FN5O2/c1-13-4-2-7-16(10-13)24-21(29)26-8-9-27-17(12-26)18(20(23)28)19(25-27)14-5-3-6-15(22)11-14/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302538 (US9598423, Example 104) Show SMILES CC(C)(C)NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(Cl)c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C18H22ClN5O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,25)(H,21,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302597 (2-(3-Chlorophenyl)-N5- (3-fluoro-4-(trifluoromethy...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(c(F)c1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C21H16ClF4N5O2/c22-12-3-1-2-11(8-12)18-17(19(27)32)16-10-30(6-7-31(16)29-18)20(33)28-13-4-5-14(15(23)9-13)21(24,25)26/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302643 (2-(3,4-Dichlorophenyl)-N5- (isoquinolin-7-yl)-6,7-...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccncc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$| Show InChI InChI=1S/C23H18Cl2N6O2/c24-17-4-2-14(10-18(17)25)21-20(22(26)32)19-12-30(7-8-31(19)29-21)23(33)28-16-3-1-13-5-6-27-11-15(13)9-16/h1-6,9-11H,7-8,12H2,(H2,26,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302659 (N5-(2,2-Difluorobenzo[d] [1,3]dioxol-5-yl)-2-(3- f...) Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C22H18F3N5O4/c1-11-6-12(8-13(23)7-11)19-18(20(26)31)15-10-29(4-5-30(15)28-19)21(32)27-14-2-3-16-17(9-14)34-22(24,25)33-16/h2-3,6-9H,4-5,10H2,1H3,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302712 (N5-(4-Cyanophenyl)-2-(4- fluoro-3-methoxyphenyl)-6...) Show SMILES COc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C22H19FN6O3/c1-25-14-4-6-15(7-5-14)26-22(31)28-9-10-29-17(12-28)19(21(24)30)20(27-29)13-3-8-16(23)18(11-13)32-2/h3-8,11H,9-10,12H2,2H3,(H2,24,30)(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302726 (2-(5-Chloro-6-fluoropyridin- 3-yl)-N5-(4-cyano-3- ...) Show SMILES Cc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cnc(F)c(Cl)c2)ccc1C#N |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C21H17ClFN7O2/c1-11-6-14(3-2-12(11)8-24)27-21(32)29-4-5-30-16(10-29)17(20(25)31)18(28-30)13-7-15(22)19(23)26-9-13/h2-3,6-7,9H,4-5,10H2,1H3,(H2,25,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302774 (N5-(3- Chloro-4-cyanophenyl)- 2-(3-chlorophenyl)-7...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H18Cl2N6O3/c23-14-3-1-2-12(6-14)20-19(21(26)32)18-10-29(9-16(11-31)30(18)28-20)22(33)27-15-5-4-13(8-25)17(24)7-15/h1-7,16,31H,9-11H2,(H2,26,32)(H,27,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302775 (2-(3-Chlorophenyl)-N5-(4- cyano-3-fluorophenyl)-7-...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O3/c1-26-17-6-5-14(8-16(17)24)27-22(33)29-9-15(11-31)30-18(10-29)19(21(25)32)20(28-30)12-3-2-4-13(23)7-12/h2-8,15,31H,9-11H2,(H2,25,32)(H,27,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302775 (2-(3-Chlorophenyl)-N5-(4- cyano-3-fluorophenyl)-7-...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O3/c1-26-17-6-5-14(8-16(17)24)27-22(33)29-9-15(11-31)30-18(10-29)19(21(25)32)20(28-30)12-3-2-4-13(23)7-12/h2-8,15,31H,9-11H2,(H2,25,32)(H,27,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302776 (2-(3-Chlorophenyl)-N5- (3,5-dichlorophenyl)-7- (hy...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C21H18Cl3N5O3/c22-12-3-1-2-11(4-12)19-18(20(25)31)17-9-28(8-16(10-30)29(17)27-19)21(32)26-15-6-13(23)5-14(24)7-15/h1-7,16,30H,8-10H2,(H2,25,31)(H,26,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302777 (US9598423, Example A5) Show SMILES NC(=O)c1c2CN(CC(CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O2/c1-26-15-5-7-16(8-6-15)27-22(32)29-11-17(10-24)30-18(12-29)19(21(25)31)20(28-30)13-3-2-4-14(23)9-13/h2-9,17H,10-12H2,(H2,25,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302777 (US9598423, Example A5) Show SMILES NC(=O)c1c2CN(CC(CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O2/c1-26-15-5-7-16(8-6-15)27-22(32)29-11-17(10-24)30-18(12-29)19(21(25)31)20(28-30)13-3-2-4-14(23)9-13/h2-9,17H,10-12H2,(H2,25,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302778 ((S)-N5-(3-Chloro- 4-cyanophenyl)- 2-(3-chloropheny...) Show SMILES NC(=O)c1c2CN(C[C@@H](CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H17Cl2FN6O2/c1-27-17-6-5-14(8-16(17)24)28-22(33)30-10-15(9-25)31-18(11-30)19(21(26)32)20(29-31)12-3-2-4-13(23)7-12/h2-8,15H,9-11H2,(H2,26,32)(H,28,33)/t15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302779 ((R)-N5-(3-Chloro- 4-cyanophenyl)- 2-(3-chloropheny...) Show SMILES NC(=O)c1c2CN(C[C@H](CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(Cl)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H17Cl2FN6O2/c1-27-17-6-5-14(8-16(17)24)28-22(33)30-10-15(9-25)31-18(11-30)19(21(26)32)20(29-31)12-3-2-4-13(23)7-12/h2-8,15H,9-11H2,(H2,26,32)(H,28,33)/t15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302780 ((S)-2-(3- Chlorophenyl)-N5- (4-cyano-3-fluoropheny...) Show SMILES NC(=O)c1c2CN(C[C@@H](CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H17ClF2N6O2/c1-27-17-6-5-14(8-16(17)25)28-22(33)30-10-15(9-24)31-18(11-30)19(21(26)32)20(29-31)12-3-2-4-13(23)7-12/h2-8,15H,9-11H2,(H2,26,32)(H,28,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302780 ((S)-2-(3- Chlorophenyl)-N5- (4-cyano-3-fluoropheny...) Show SMILES NC(=O)c1c2CN(C[C@@H](CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+]#[C-])c(F)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C22H17ClF2N6O2/c1-27-17-6-5-14(8-16(17)25)28-22(33)30-10-15(9-24)31-18(11-30)19(21(26)32)20(29-31)12-3-2-4-13(23)7-12/h2-8,15H,9-11H2,(H2,26,32)(H,28,33)/t15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair

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