Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 1555   

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))	BDBM12133 (3-(Indol-2-yl)indazole 23 | [5-(3-{5-[(4-fluoropip...) Show SMILES NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H25FN8/c25-17-5-7-33(8-6-17)13-14-1-4-19-16(9-14)11-21(27-19)24-18-3-2-15(10-20(18)28-30-24)23-22(12-26)29-32-31-23/h1-4,9-11,17,27H,5-8,12-13,26H2,(H,28,30)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12134 (2-methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C28H28N4O2/c1-34-27-16-20(7-10-26(27)33)19-6-8-22-24(14-19)30-31-28(22)25-15-21-13-18(5-9-23(21)29-25)17-32-11-3-2-4-12-32/h5-10,13-16,29,33H,2-4,11-12,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12132 (3-(Indol-2-yl)indazole 22 | [5-(3-{5-[(4-fluoropip...) Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12131 ((5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-...) Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12112 (1-[4-({2-[6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazol-...) Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)-c2nnn[nH]2)CC1 Show InChI InChI=1S/C23H23N9O/c1-14(33)32-8-6-31(7-9-32)13-15-2-5-19-17(10-15)12-21(24-19)22-18-4-3-16(11-20(18)25-26-22)23-27-29-30-28-23/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12126 (3-(Indol-2-yl)indazole 16 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1 Show InChI InChI=1S/C23H23N7/c1-2-9-29(10-3-1)15-16-4-7-20-17(12-16)13-22(25-20)23-19-6-5-18(14-21(19)26-27-23)30-11-8-24-28-30/h4-8,11-14,25H,1-3,9-10,15H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12121 (3-(Indol-2-yl)indazole 11 | 4-({2-[6-(1H-pyrazol-4...) Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12116 (3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...) Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12118 (3-(Indol-2-yl)indazole 8 | 3-[5-(morpholin-4-ylmet...) Show SMILES NC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12124 (3-(Indol-2-yl)indazole 14 | 4-{3-[5-(piperidin-1-y...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1 Show InChI InChI=1S/C24H23N5S/c1-2-8-29(9-3-1)14-16-4-7-21-18(10-16)12-23(26-21)24-20-6-5-17(11-22(20)27-28-24)19-13-25-30-15-19/h4-7,10-13,15,26H,1-3,8-9,14H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12119 (3-(Indol-2-yl)indazole 9 | N-methyl-3-[5-(morpholi...) Show SMILES CNC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12113 (3-(Indol-2-yl)indazole 3 | 3-{5-[(4-acetylpiperazi...) Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)C#N)CC1 Show InChI InChI=1S/C23H22N6O/c1-15(30)29-8-6-28(7-9-29)14-17-3-5-20-18(10-17)12-22(25-20)23-19-4-2-16(13-24)11-21(19)26-27-23/h2-5,10-12,25H,6-9,14H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12124 (3-(Indol-2-yl)indazole 14 | 4-{3-[5-(piperidin-1-y...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1 Show InChI InChI=1S/C24H23N5S/c1-2-8-29(9-3-1)14-16-4-7-21-18(10-16)12-23(26-21)24-20-6-5-17(11-22(20)27-28-24)19-13-25-30-15-19/h4-7,10-13,15,26H,1-3,8-9,14H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12121 (3-(Indol-2-yl)indazole 11 | 4-({2-[6-(1H-pyrazol-4...) Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12111 (3-(1H-indol-2-yl)-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-...) Show SMILES c1c([nH]c2ccccc12)-c1n[nH]c2cc(ccc12)-c1nnn[nH]1 Show InChI InChI=1S/C16H11N7/c1-2-4-12-9(3-1)7-14(17-12)15-11-6-5-10(8-13(11)18-19-15)16-20-22-23-21-16/h1-8,17H,(H,18,19)(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12116 (3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...) Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12127 (3-(Indol-2-yl)indazole 17 | 6-(5-methyl-1H-1,2,3-t...) Show SMILES Cc1cnnn1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12123 (3-(Indol-2-yl)indazole 13 | 4-({2-[6-(1H-pyrazol-5...) Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1 Show InChI InChI=1S/C23H22N6O/c1-4-19-17(11-15(1)14-29-7-9-30-10-8-29)13-22(25-19)23-18-3-2-16(12-21(18)27-28-23)20-5-6-24-26-20/h1-6,11-13,25H,7-10,14H2,(H,24,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12129 (3-(Indol-2-yl)indazole 19 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1nccn1 Show InChI InChI=1S/C23H23N7/c1-2-10-29(11-3-1)15-16-4-7-20-17(12-16)13-22(26-20)23-19-6-5-18(14-21(19)27-28-23)30-24-8-9-25-30/h4-9,12-14,26H,1-3,10-11,15H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12130 (3-(Indol-2-yl)indazole 20 | 6-phenyl-3-[5-(piperid...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12125 (2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-i...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1nccs1 Show InChI InChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12131 ((5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-...) Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12126 (3-(Indol-2-yl)indazole 16 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1 Show InChI InChI=1S/C23H23N7/c1-2-9-29(10-3-1)15-16-4-7-20-17(12-16)13-22(25-20)23-19-6-5-18(14-21(19)26-27-23)30-11-8-24-28-30/h4-8,11-14,25H,1-3,9-10,15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12123 (3-(Indol-2-yl)indazole 13 | 4-({2-[6-(1H-pyrazol-5...) Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1 Show InChI InChI=1S/C23H22N6O/c1-4-19-17(11-15(1)14-29-7-9-30-10-8-29)13-22(25-19)23-18-3-2-16(12-21(18)27-28-23)20-5-6-24-26-20/h1-6,11-13,25H,7-10,14H2,(H,24,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12117 (3-(Indol-2-yl)indazole 7 | methyl 3-[5-(morpholin-...) Show SMILES COC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12120 (3-(Indol-2-yl)indazole 10 | N,N-dimethyl-3-[5-(mor...) Show SMILES CN(C)C(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12128 (3-(Indol-2-yl)indazole 18 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1cccn1 Show InChI InChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12114 (1-(4-{[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]...) Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C22H22ClN5O/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-16(10-15)11-21(24-19)22-18-4-3-17(23)12-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12132 (3-(Indol-2-yl)indazole 22 | [5-(3-{5-[(4-fluoropip...) Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12133 (3-(Indol-2-yl)indazole 23 | [5-(3-{5-[(4-fluoropip...) Show SMILES NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H25FN8/c25-17-5-7-33(8-6-17)13-14-1-4-19-16(9-14)11-21(27-19)24-18-3-2-15(10-20(18)28-30-24)23-22(12-26)29-32-31-23/h1-4,9-11,17,27H,5-8,12-13,26H2,(H,28,30)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12134 (2-methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C28H28N4O2/c1-34-27-16-20(7-10-26(27)33)19-6-8-22-24(14-19)30-31-28(22)25-15-21-13-18(5-9-23(21)29-25)17-32-11-3-2-4-12-32/h5-10,13-16,29,33H,2-4,11-12,17H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12127 (3-(Indol-2-yl)indazole 17 | 6-(5-methyl-1H-1,2,3-t...) Show SMILES Cc1cnnn1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12129 (3-(Indol-2-yl)indazole 19 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1nccn1 Show InChI InChI=1S/C23H23N7/c1-2-10-29(11-3-1)15-16-4-7-20-17(12-16)13-22(26-20)23-19-6-5-18(14-21(19)27-28-23)30-24-8-9-25-30/h4-9,12-14,26H,1-3,10-11,15H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12122 (3-(Indol-2-yl)indazole 12 | 4-({2-[6-(1-methyl-1H-...) Show SMILES Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C24H24N6O/c1-29-15-19(13-25-29)17-3-4-20-22(11-17)27-28-24(20)23-12-18-10-16(2-5-21(18)26-23)14-30-6-8-31-9-7-30/h2-5,10-13,15,26H,6-9,14H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12115 (1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}pi...) Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3ccccc23)CC1 Show InChI InChI=1S/C22H23N5O/c1-15(28)27-10-8-26(9-11-27)14-16-6-7-19-17(12-16)13-21(23-19)22-18-4-2-3-5-20(18)24-25-22/h2-7,12-13,23H,8-11,14H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12118 (3-(Indol-2-yl)indazole 8 | 3-[5-(morpholin-4-ylmet...) Show SMILES NC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12128 (3-(Indol-2-yl)indazole 18 | 3-[5-(piperidin-1-ylme...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1cccn1 Show InChI InChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12125 (2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-i...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1nccs1 Show InChI InChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12119 (3-(Indol-2-yl)indazole 9 | N-methyl-3-[5-(morpholi...) Show SMILES CNC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12117 (3-(Indol-2-yl)indazole 7 | methyl 3-[5-(morpholin-...) Show SMILES COC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12130 (3-(Indol-2-yl)indazole 20 | 6-phenyl-3-[5-(piperid...) Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12120 (3-(Indol-2-yl)indazole 10 | N,N-dimethyl-3-[5-(mor...) Show SMILES CN(C)C(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...				Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV
					More data for this Ligand-Target Pair