Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'robinson' and Initial = 'sp'   

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 Chk1 (Homo sapiens (Human))	BDBM50555385 (CHEMBL4753307) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328998 (1137478-52-4 | US11787792, Compound Y-158 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555401 (CHEMBL4742233) Show SMILES Cc1cnc(s1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555402 (CHEMBL4790962) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555384 (CHEMBL4789854) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555409 (CHEMBL4754960) Show SMILES Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555405 (CHEMBL4784718) Show SMILES OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329000 (1137478-46-6 | US11787792, Compound Y-153 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328996 (1137477-07-6 | US11787792, Compound Y-081 | US9663...) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1 Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555383 (CHEMBL4784549) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328997 (1137478-45-5 | US11787792, Compound Y-152 | US9663...) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555404 (CHEMBL4797851) Show SMILES Cn1ncc2cc(ccc12)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555392 (CHEMBL4760882) Show SMILES OCC\C=C\c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555406 (CHEMBL4740741) Show SMILES C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555398 (CHEMBL4742116) Show SMILES Clc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555397 (CHEMBL4741023) Show SMILES Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328999 (1137478-38-6 | US11787792, Compound Y-147 | US9663...) Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555386 (CHEMBL4756720) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](CNc3cc(Nc4cnc(cn4)C#N)ncc3C(=O)OC)C1)N2C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555408 (CHEMBL4792322) Show SMILES N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(cn2)C2CC2)cn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555403 (CHEMBL4740334) Show SMILES Cn1cc2cc(ccc2n1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555389 (CHEMBL4750202) Show SMILES CCNC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555381 (CHEMBL4797888) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329004 (1168103-91-0 | US11787792, Compound Y-146 | US9663...) Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555385 (CHEMBL4753307) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555400 (CHEMBL4796773) Show SMILES Fc1cc(F)cc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555393 (CHEMBL4743137) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555401 (CHEMBL4742233) Show SMILES Cc1cnc(s1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555410 (CHEMBL4741637) Show SMILES Fc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555399 (CHEMBL4797332) Show SMILES Fc1ccc(cc1F)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329007 (1137478-41-1 | US11787792, Compound Y-150 | US9663...) Show SMILES Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H20FN7O/c22-15-3-1-2-14(6-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-4-5-30-17/h1-3,6-7,9,12-13,17,24H,4-5,10-11H2,(H2,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555382 (CHEMBL4782716) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCN(C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555384 (CHEMBL4789854) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50359819 (CHEMBL1928692) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI InChI=1S/C18H21N7O2/c1-27-18(26)14-10-24-16(25-17-11-21-13(7-19)9-23-17)6-15(14)22-8-12-2-4-20-5-3-12/h6,9-12,20H,2-5,8H2,1H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555407 (CHEMBL4751342) Show SMILES N#Cc1cnc(Nc2cc(NCC3CNCCO3)c(cn2)C#N)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329010 (1137478-44-4 | US11787792, Compound Y-151 | US9663...) Show SMILES Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H20FN7O/c22-15-3-1-14(2-4-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-5-6-30-17/h1-4,7,9,12-13,17,24H,5-6,10-11H2,(H2,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50450086 (CHEMBL2114043) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C34H56N4O9/c1-20(2)11-9-12-23(7)13-10-14-24(8)18-29(41)35-25(33(44)45)15-16-28(40)38-30(22(5)6)32(43)36-26(17-21(3)4)31(42)37-27(19-39)34(46)47/h11,13,18,21-22,25-27,30,39H,9-10,12,14-17,19H2,1-8H3,(H,35,41)(H,36,43)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/b23-13+,24-18+/t25-,26-,27-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ras Farnesyltransferase				Bioorg Med Chem Lett 4: 2107-2112 (1994) Article DOI: 10.1016/S0960-894X(01)80111-6 BindingDB Entry DOI: 10.7270/Q2ZW1KTF
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50450086 (CHEMBL2114043) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C34H56N4O9/c1-20(2)11-9-12-23(7)13-10-14-24(8)18-29(41)35-25(33(44)45)15-16-28(40)38-30(22(5)6)32(43)36-26(17-21(3)4)31(42)37-27(19-39)34(46)47/h11,13,18,21-22,25-27,30,39H,9-10,12,14-17,19H2,1-8H3,(H,35,41)(H,36,43)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/b23-13+,24-18+/t25-,26-,27-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ras Farnesyltransferase				Bioorg Med Chem Lett 4: 2107-2112 (1994) Article DOI: 10.1016/S0960-894X(01)80111-6 BindingDB Entry DOI: 10.7270/Q2ZW1KTF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555394 (CHEMBL4791739) Show SMILES N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(cn2)-c2ccccc2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555391 (CHEMBL4745956) Show SMILES OCCCc1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555390 (CHEMBL4755864) Show SMILES O=C(Nc1ccccc1)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555387 (CHEMBL4799304) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCCNC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555402 (CHEMBL4790962) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555405 (CHEMBL4784718) Show SMILES OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555396 (CHEMBL4752942) Show SMILES Cc1noc(n1)-c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM263614 (2-fluoroethyl 4-(((1-(tert-butyl)-5-chloro-6-oxo-1...) Show SMILES CC(C)(C)n1ncc(OCc2ccc(cc2)C(=O)OCCF)c(Cl)c1=O Show InChI InChI=1S/C18H20ClFN2O4/c1-18(2,3)22-16(23)15(19)14(10-21-22)26-11-12-4-6-13(7-5-12)17(24)25-9-8-20/h4-7,10H,8-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	n/a
Lantheus Medical Imaging, Inc. US Patent					Assay Description The procedure for determining catalytic activity of submitochondrial particles was adapted from Satoh et al. (e.g., see Satoh T, Miyoshi H, Sakamoto ...				US Patent US9713651 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F2F
					More data for this Ligand-Target Pair
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM263653 (2-(tert-butyl)-4-chloro-5-((3-(3-fluoropropoxyl)be...) Show SMILES CC(C)(C)n1ncc(OCc2cccc(OCCCF)c2)c(Cl)c1=O Show InChI InChI=1S/C18H22ClFN2O3/c1-18(2,3)22-17(23)16(19)15(11-21-22)25-12-13-6-4-7-14(10-13)24-9-5-8-20/h4,6-7,10-11H,5,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	n/a
Lantheus Medical Imaging, Inc. US Patent					Assay Description The procedure for determining catalytic activity of submitochondrial particles was adapted from Satoh et al. (e.g., see Satoh T, Miyoshi H, Sakamoto ...				US Patent US9713651 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F2F
					More data for this Ligand-Target Pair
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM263649 (2-(tert-butyl)-4-chloro-5-((2-chloro-4-(3-fluoropr...) Show SMILES CC(C)(C)n1ncc(OCc2ccc(OCCCF)cc2Cl)c(Cl)c1=O Show InChI InChI=1S/C18H21Cl2FN2O3/c1-18(2,3)23-17(24)16(20)15(10-22-23)26-11-12-5-6-13(9-14(12)19)25-8-4-7-21/h5-6,9-10H,4,7-8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	n/a
Lantheus Medical Imaging, Inc. US Patent					Assay Description The procedure for determining catalytic activity of submitochondrial particles was adapted from Satoh et al. (e.g., see Satoh T, Miyoshi H, Sakamoto ...				US Patent US9713651 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F2F
					More data for this Ligand-Target Pair
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM263648 (3-fluoropropyl 4-(((1-(tert-butyl)-5-chloro-6-oxo-...) Show SMILES CC(C)(C)n1ncc(OCc2ccc(cc2)C(=O)OCCCF)c(Cl)c1=O Show InChI InChI=1S/C19H22ClFN2O4/c1-19(2,3)23-17(24)16(20)15(11-22-23)27-12-13-5-7-14(8-6-13)18(25)26-10-4-9-21/h5-8,11H,4,9-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	n/a
Lantheus Medical Imaging, Inc. US Patent					Assay Description The procedure for determining catalytic activity of submitochondrial particles was adapted from Satoh et al. (e.g., see Satoh T, Miyoshi H, Sakamoto ...				US Patent US9713651 (2017) BindingDB Entry DOI: 10.7270/Q2RX9F2F
					More data for this Ligand-Target Pair

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