Compile Data Set for Download or QSAR

Found 8519 hits with Last Name = 'shaw' 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 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))	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 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 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))	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 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 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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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))	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))	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
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 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 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))	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))	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))	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
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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521465 (CHEMBL4449014 | US11596639, Example 88) Show SMILES C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(7.6,-25.05,;8.51,-26.3,;10.05,-26.14,;10.96,-27.38,;12.49,-27.38,;13.4,-26.13,;14.86,-26.6,;16.1,-25.69,;14.86,-28.13,;16.01,-29.15,;15.7,-30.65,;14.24,-31.13,;13.09,-30.11,;13.41,-28.61,;16.85,-31.67,;16.54,-33.18,;18.31,-31.18,;10.33,-28.79,;11.23,-30.04,;8.8,-28.95,;7.89,-30.2,;7.88,-31.73,;9.21,-32.52,;9.19,-34.06,;10.52,-34.84,;10.5,-36.38,;11.82,-37.15,;11.81,-38.69,;13.15,-39.47,;10.47,-39.45,;10.46,-40.99,;9.14,-38.67,;7.8,-39.43,;9.16,-37.13,;6.43,-29.72,;5.09,-30.5,;3.76,-29.73,;3.76,-28.19,;2.43,-27.42,;5.09,-27.42,;5.08,-24.52,;3.83,-23.62,;2.37,-24.1,;4.3,-22.15,;5.84,-22.15,;6.74,-20.9,;6.32,-23.61,;7.79,-24.08,;6.43,-28.18,;7.89,-27.7,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-12-13-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-17-25(39(48)49)10-11-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					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))	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50244166 (CHEMBL4067929 | US11596639, Example 80) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af...				J Med Chem 61: 2410-2421 (2018) Article DOI: 10.1021/acs.jmedchem.7b01155 BindingDB Entry DOI: 10.7270/Q2125W3M
					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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50244166 (CHEMBL4067929 | US11596639, Example 80) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af...				J Med Chem 61: 2410-2421 (2018) Article DOI: 10.1021/acs.jmedchem.7b01155 BindingDB Entry DOI: 10.7270/Q2125W3M
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50244166 (CHEMBL4067929 | US11596639, Example 80) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af...				J Med Chem 61: 2410-2421 (2018) Article DOI: 10.1021/acs.jmedchem.7b01155 BindingDB Entry DOI: 10.7270/Q2125W3M
					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))	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 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

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