Compile Data Set for Download or QSAR

Found 657 hits with Last Name = 'cusack' and Initial = 'k'   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620450 ((S)-5-((1-(difluoromethyl)-5-methyl-1H-pyrazol-4-y...) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C(F)F)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620443 (US11767310, Example 11) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620438 (US11767310, Example 6) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620434 (US11767310, Example 2) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620440 (US11767310, Example 8) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn2CCOCc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620439 (US11767310, Example 7) Show SMILES CN(C[C@@H](O)[C@@H](F)c1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620446 (US11767310, Example 14) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cnc(C)c(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323351 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...) Show SMILES CC(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human CYP11B2				Bioorg Med Chem Lett 23: 5471-83 (2013) Article DOI: 10.1016/j.bmcl.2013.08.003 BindingDB Entry DOI: 10.7270/Q2R49S6F
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Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264866 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620433 (US11767310, Example 1) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323353 (1-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo-4,5...) Show SMILES C[C@H](N1Cc2cncn2C(CC(C)(C)O)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(13-4-6-14(18)7-5-13)21-10-15-9-19-11-20(15)16(25(21,23)24)8-17(2,3)22/h4-7,9,11-12,16,22H,8,10H2,1-3H3/t12-,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human CYP11B2				Bioorg Med Chem Lett 23: 5471-83 (2013) Article DOI: 10.1016/j.bmcl.2013.08.003 BindingDB Entry DOI: 10.7270/Q2R49S6F
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620444 (US11767310, Example 12) Show SMILES CN(C[C@@H](O)Cc1cccc(F)c1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620437 (US11767310, Example 5) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620441 (US11767310, Example 9) Show SMILES CN(C[C@H](O)Cc1ccccc1)C(=O)c1cnc(C(F)F)c(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28043 (7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...) Show SMILES Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O Show InChI InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
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Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155144 (4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...) Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3| Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620436 (US11767310, Example 4) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620449 (US11767310, Example 17) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnc(C)o1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620435 (US11767310, Example 3) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264865 ((4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl...) Show SMILES OCc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620442 (US11767310, Example 10) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(n1)C1COC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50264773 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28037 (4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155149 (4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...) Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8| Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155148 ((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...) Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17| Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM28039 (5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H...) Show SMILES c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1 Show InChI InChI=1S/C20H13N5S/c1-2-5-13(6-3-1)14-7-4-8-15(9-14)17-11-21-12-19-16(17)10-18(26-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...				Bioorg Med Chem Lett 19: 1722-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.088 BindingDB Entry DOI: 10.7270/Q2VH5M4P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50265350 (4-(4'-chlorobiphenyl-4-yloxy)-2-(2H-tetrazol-5-yl)...) Show SMILES Clc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C20H12ClN5OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,(H,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human recombinant COT by HTRF-based assay				Bioorg Med Chem Lett 18: 4952-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.037 BindingDB Entry DOI: 10.7270/Q23J3CTH
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620445 (US11767310, Example 13) Show SMILES COc1ncc(cc1C#Cc1cnn(C)c1)C(=O)N(C)C[C@@H](O)Cc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293125 (US10106501, Example BJ-17) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C4COC4)c3Cl)nc12)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F3N3O2/c1-14-9-17(26(29,30)31)10-21-24(14)32-22(33(21)2)11-19-20(27)4-3-18(23(19)28)25(35)34-7-5-15(6-8-34)16-12-36-13-16/h3-4,9-10,15-16H,5-8,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293126 (US10106501, Example BJ-18) Show SMILES COCCC1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-15-12-17(26(29,30)31)13-21-24(15)32-22(33(21)2)14-19-20(27)5-4-18(23(19)28)25(35)34-9-6-16(7-10-34)8-11-36-3/h4-5,12-13,16H,6-11,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293177 (US10106501, Example BU) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)nc12)C(F)(F)F Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-9-15(25(28,29)30)11-19-23(13)31-20(32(19)2)12-17-18(26)4-3-16(22(17)27)24(36)33-7-5-14(6-8-33)10-21(34)35/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293207 (US10106501, Example CH) Show SMILES CC(C)n1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2c(C)cc(cc12)C#N Show InChI InChI=1S/C24H24Cl2N4O2/c1-14(2)30-20-11-16(13-27)10-15(3)23(20)28-21(30)12-18-19(25)5-4-17(22(18)26)24(31)29-6-8-32-9-7-29/h4-5,10-11,14H,6-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293211 (US10106501, Example CL) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12)C#N Show InChI InChI=1S/C22H20Cl2N4O2/c1-13-9-14(12-25)26-21-17(13)10-15(27(21)2)11-18-19(23)4-3-16(20(18)24)22(29)28-5-7-30-8-6-28/h3-4,9-10H,5-8,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293212 (US10106501, Example CL-1) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(O)CC4)c3Cl)cc12)C#N Show InChI InChI=1S/C23H22Cl2N4O2/c1-13-9-14(12-26)27-22-18(13)10-15(28(22)2)11-19-20(24)4-3-17(21(19)25)23(31)29-7-5-16(30)6-8-29/h3-4,9-10,16,30H,5-8,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293213 (US10106501, Example CL-2) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C4COC4)c3Cl)cc12)C#N Show InChI InChI=1S/C26H26Cl2N4O2/c1-15-9-18(12-29)30-25-21(15)10-19(31(25)2)11-22-23(27)4-3-20(24(22)28)26(33)32-7-5-16(6-8-32)17-13-34-14-17/h3-4,9-10,16-17H,5-8,11,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293214 ((2,4-dichloro-3-((1,4-dimethyl-6-(trifluoromethyl)...) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C22H20Cl2F3N3O2/c1-12-9-18(22(25,26)27)28-20-15(12)10-13(29(20)2)11-16-17(23)4-3-14(19(16)24)21(31)30-5-7-32-8-6-30/h3-4,9-10H,5-8,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293215 ((2,4-dichloro-3-((6-chloro-1,4-dimethyl-1H-pyrrolo...) Show SMILES Cc1cc(Cl)nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12 Show InChI InChI=1S/C21H20Cl3N3O2/c1-12-9-18(23)25-20-15(12)10-13(26(20)2)11-16-17(22)4-3-14(19(16)24)21(28)27-5-7-29-8-6-27/h3-4,9-10H,5-8,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293224 (US10106501, Example CT-3) Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C(C)(C)O)c2Cl)nc2c(C)cc(cn12)C(F)(F)F Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-14-11-17(26(29,30)31)13-34-15(2)21(32-23(14)34)12-19-20(27)6-5-18(22(19)28)24(35)33-9-7-16(8-10-33)25(3,4)36/h5-6,11,13,16,36H,7-10,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293227 (US10106501, Example CT-6) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(cn3c2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C24H24Cl2F3N3O2/c1-13-10-15(24(27,28)29)12-32-14(2)20(30-22(13)32)11-18-19(25)5-4-17(21(18)26)23(33)31-8-6-16(34-3)7-9-31/h4-5,10,12,16H,6-9,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293228 (US10106501, Example CT-7) Show SMILES COCCC1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(cn3c2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-15-12-18(26(29,30)31)14-34-16(2)22(32-24(15)34)13-20-21(27)5-4-19(23(20)28)25(35)33-9-6-17(7-10-33)8-11-36-3/h4-5,12,14,17H,6-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293229 (US10106501, Example CT-8) Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C3COC3)c2Cl)nc2c(C)cc(cn12)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F3N3O2/c1-14-9-18(26(29,30)31)11-34-15(2)22(32-24(14)34)10-20-21(27)4-3-19(23(20)28)25(35)33-7-5-16(6-8-33)17-12-36-13-17/h3-4,9,11,16-17H,5-8,10,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293243 (US10106501, Example CZ) Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2c(C)cc(nn12)C(F)(F)F Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-11-9-17(21(24,25)26)28-30-12(2)16(27-19(11)30)10-14-15(22)4-3-13(18(14)23)20(31)29-5-7-32-8-6-29/h3-4,9H,5-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293248 (US10106501, Example DE) Show SMILES Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-9-16(25(28,29)30)11-18-14(2)31-33(23(13)18)12-19-20(26)4-3-17(22(19)27)24(36)32-7-5-15(6-8-32)10-21(34)35/h3-4,9,11,15H,5-8,10,12H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293250 (US10106501, Example DG) Show SMILES Cc1n(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)nc2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-9-16(25(28,29)30)11-18-14(2)33(31-23(13)18)12-19-20(26)4-3-17(22(19)27)24(36)32-7-5-15(6-8-32)10-21(34)35/h3-4,9,11,15H,5-8,10,12H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293251 (US10106501, Example DH) Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C(O)=O)c2Cl)c2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C25H23Cl2F3N2O3/c1-13-9-16(25(28,29)30)10-18-14(2)11-32(22(13)18)12-19-20(26)4-3-17(21(19)27)23(33)31-7-5-15(6-8-31)24(34)35/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293252 (US10106501, Example DI) Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-14-9-17(26(29,30)31)11-19-15(2)12-33(24(14)19)13-20-21(27)4-3-18(23(20)28)25(36)32-7-5-16(6-8-32)10-22(34)35/h3-4,9,11-12,16H,5-8,10,13H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293253 (US10106501, Example DJ) Show SMILES Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-13-9-16(26(29,30)31)11-18-14(2)12-33(23(13)18)25(37)21-19(27)4-3-17(22(21)28)24(36)32-7-5-15(6-8-32)10-20(34)35/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293255 (US10106501, Example DL) Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C#N Show InChI InChI=1S/C26H25Cl2N3O3/c1-15-9-18(12-29)10-20-16(2)13-31(25(15)20)14-21-22(27)4-3-19(24(21)28)26(34)30-7-5-17(6-8-30)11-23(32)33/h3-4,9-10,13,17H,5-8,11,14H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293257 (US10106501, Example DN) Show SMILES Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C#N Show InChI InChI=1S/C26H23Cl2N3O4/c1-14-9-17(12-29)10-19-15(2)13-31(24(14)19)26(35)22-20(27)4-3-18(23(22)28)25(34)30-7-5-16(6-8-30)11-21(32)33/h3-4,9-10,13,16H,5-8,11H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM293258 (US10106501, Example DO | US10106501, Example DT) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ncc(C(=O)N4CCC(O)CC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C22H21Cl2F3N4O2/c1-11-7-17(22(25,26)27)29-20-14(11)8-12(30(20)2)9-15-18(23)16(10-28-19(15)24)21(33)31-5-3-13(32)4-6-31/h7-8,10,13,32H,3-6,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair

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