Compile Data Set for Download or QSAR

Found 8993 hits with Last Name = 'els' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572232 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572231 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572231 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572233 ((6S)-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572232 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572237 (2-[4-[(5S)-2,6-diazaspiro[4.5]decan-2-yl]-1H- pyrr...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572236 ((6S)-1-methyl-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3- ...) Show SMILES CN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572244 (2-[4-[(5S)-2,6-diazaspiro[4.5]decan-2-yl]-1H- pyrr...) Show SMILES Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CC[C@]4(C3)CCCCN4)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572233 ((6S)-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572234 (2-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncc[nH]4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572235 ((6S)-8-(3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccnnc4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572240 ((6S)-1-ethyl-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3- b...) Show SMILES CCN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572282 ((6S)-8-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cncnc4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572236 ((6S)-1-methyl-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3- ...) Show SMILES CN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572237 (2-[4-[(5S)-2,6-diazaspiro[4.5]decan-2-yl]-1H- pyrr...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572249 ((5S)-2-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ccncn4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572234 (2-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncc[nH]4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071565 (2-(2,2-Diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-...) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C38H43N7O6/c1-25-22-32(35(48)42-31(14-8-9-20-39)33(46)36(49)41-21-19-26-15-17-29(18-16-26)34(40)47)45-38(51)43(37(50)44(45)23-25)24-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,15-18,22,30-32H,8-9,14,19-21,23-24,39H2,1H3,(H2,40,47)(H,41,49)(H,42,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572239 ((6S)-8-[3-(2-pyridyl)-1H-pyrrolo[2,3-b]pyridin-4-y...) Show SMILES C1CC[C@@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572238 (2-[4-(1-ethyl-1,8-diazaspiro[5.5]undecan-8-yl)-1H-...) Show SMILES CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572240 ((6S)-1-ethyl-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3- b...) Show SMILES CCN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572243 ((5S)-2-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572239 ((6S)-8-[3-(2-pyridyl)-1H-pyrrolo[2,3-b]pyridin-4-y...) Show SMILES C1CC[C@@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572241 (3-[4-(1,8- diazaspiro[5.5]undecan- 8-yl)-1H-pyrrol...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccsn4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572242 (2-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572268 (3-[4-(2,6-diazaspiro[4.5]decan-2-yl)-1H-pyrrolo[2,...) Show SMILES C1CC2(CN1c1ccnc3[nH]cc(-c4nc[nH]n4)c13)CCCCN2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572242 (2-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572243 ((5S)-2-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572244 (2-[4-[(5S)-2,6-diazaspiro[4.5]decan-2-yl]-1H- pyrr...) Show SMILES Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CC[C@]4(C3)CCCCN4)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of Wild-type protease				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of Wild-type protease				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572246 (2-[4-(1-ethyl-1,8-diazaspiro[5.5]undecan-8-yl)-1H-...) Show SMILES CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572245 (2-[4-(1,8- diazaspiro[5.5]undecan-8- yl)-1H-pyrrol...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nccs4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572247 (8-[3-(5-fluoro-3-pyridyl)-1H-pyrrolo[2,3-b]pyridin...) Show SMILES Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572233 ((6S)-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572247 (8-[3-(5-fluoro-3-pyridyl)-1H-pyrrolo[2,3-b]pyridin...) Show SMILES Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572249 ((5S)-2-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-...) Show SMILES C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ccncn4)c13)CCCCN2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572251 (4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cn[nH]c4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572250 (8-[3-(2-pyridyl)-1H- pyrrolo[2,3-b]pyridin-4- yl]-...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572251 (4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cn[nH]c4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572252 (2-[4-(2,6-diazaspiro[4.5]decan-2-yl)-1H-pyrrolo[2,...) Show SMILES C1CC2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572253 (3-ethyl-1-[3-(5-methylthiazol-2-yl)-1H-pyrrolo[2,3...) Show SMILES CNC1CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572253 (3-ethyl-1-[3-(5-methylthiazol-2-yl)-1H-pyrrolo[2,3...) Show SMILES CNC1CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572231 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572256 (2-[4-(1,8- diazaspiro[5.5]undecan-8- yl)-1H-pyrrol...) Show SMILES Cc1cnc(s1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM572255 (3-methyl-1-(3-thiazol-2-yl-1H-pyrrolo[2,3-b]pyridi...) Show SMILES CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572255 (3-methyl-1-(3-thiazol-2-yl-1H-pyrrolo[2,3-b]pyridi...) Show SMILES CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM572231 (3-[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-1H- py...) Show SMILES C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72PZ
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair

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