Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'pain' and Initial = 'm'   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086246 (CHEMBL3425758) Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1 Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086249 (CHEMBL3425755) Show SMILES CNc1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C17H21N3/c1-18-17-16-8-10-19-9-7-14(16)12-15(20-17)11-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086248 (CHEMBL3425756) Show SMILES CCNc1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086250 (CHEMBL3425759) Show SMILES CCCNc1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C19H25N3/c1-2-10-21-19-18-9-12-20-11-8-16(18)14-17(22-19)13-15-6-4-3-5-7-15/h3-7,14,20H,2,8-13H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086247 (CHEMBL3425757) Show SMILES CC(C)CNc1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C20H27N3/c1-15(2)14-22-20-19-9-11-21-10-8-17(19)13-18(23-20)12-16-6-4-3-5-7-16/h3-7,13,15,21H,8-12,14H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086252 (CHEMBL3425762) Show SMILES CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086251 (CHEMBL3425760) Show SMILES CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12 Show InChI InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086245 (CHEMBL3425761) Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)c1ccccc1 Show InChI InChI=1S/C23H25N3/c1-3-7-18(8-4-1)15-21-16-20-11-13-24-14-12-22(20)23(26-21)25-17-19-9-5-2-6-10-19/h1-10,16,24H,11-15,17H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086253 (CHEMBL3425763) Show SMILES C(c1ccccc1)c1cc2CCNCCc2cn1 Show InChI InChI=1S/C16H18N2/c1-2-4-13(5-3-1)10-16-11-14-6-8-17-9-7-15(14)12-18-16/h1-5,11-12,17H,6-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...				ACS Med Chem Lett 6: 329-33 (2015) Article DOI: 10.1021/ml500507v BindingDB Entry DOI: 10.7270/Q29K4CZW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM87351 (Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50370411 (CINCHORINE | GNF-PF-3189) Show SMILES O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1/2 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591314 (CHEMBL5202859) Show SMILES CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50043510 (CHEMBL3355507) Show SMILES CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50044004 (CHEMBL3356433) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50043501 (CHEMBL3355509) Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591314 (CHEMBL5202859) Show SMILES CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibitory concentration against cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50043501 (CHEMBL3355509) Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibitory concentration against cytochrome P450 2D6				J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50044004 (CHEMBL3356433) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50044004 (CHEMBL3356433) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50043510 (CHEMBL3355507) Show SMILES CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591082 (CHEMBL4790618) Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591082 (CHEMBL4790618) Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591311 (CHEMBL3182065) Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591311 (CHEMBL3182065) Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50299586 ((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50044004 (CHEMBL3356433) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591311 (CHEMBL3182065) Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 1/2 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00751 BindingDB Entry DOI: 10.7270/Q2F193Q2
					More data for this Ligand-Target Pair

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