Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'schalk-hihi' and Initial = 'c'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451743 (CHEMBL4205065) Show SMILES Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccnc2ccccc12 Show InChI InChI=1S/C29H20Cl2N4O/c1-35-17-32-16-25(35)29(36,22-13-14-33-23-10-6-5-9-20(22)23)19-11-12-24-21(15-19)27(30)26(28(31)34-24)18-7-3-2-4-8-18/h2-17,36H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220218 (US9290476, 61) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnnn1C Show InChI InChI=1S/C27H24ClN9O2/c1-35-23(15-29-33-35)27(38,24-16-30-34-36(24)2)18-7-10-22-20(14-18)25(28)21(26(32-22)39-3)13-17-5-8-19(9-6-17)37-12-4-11-31-37/h4-12,14-16,38H,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239056 (CHEMBL4062264) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C29H28ClN5O/c1-4-35(5-2)28-26(20-9-7-6-8-10-20)27(30)23-17-22(11-12-24(23)33-28)29(36,21-13-15-31-16-14-21)25-18-32-19-34(25)3/h6-19,36H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451750 (CHEMBL4204175) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C29H27ClN8O2/c1-18-31-16-25(36(18)2)29(39,26-17-32-35-37(26)3)20-8-11-24-22(15-20)27(30)23(28(34-24)40-4)14-19-6-9-21(10-7-19)38-13-5-12-33-38/h5-13,15-17,39H,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451754 (CHEMBL4217859) Show SMILES Cc1cc(ccn1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C26H20Cl2N4O/c1-16-12-19(10-11-30-16)26(33,22-14-29-15-32(22)2)18-8-9-21-20(13-18)24(27)23(25(28)31-21)17-6-4-3-5-7-17/h3-15,33H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451750 (CHEMBL4204175) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C29H27ClN8O2/c1-18-31-16-25(36(18)2)29(39,26-17-32-35-37(26)3)20-8-11-24-22(15-20)27(30)23(28(34-24)40-4)14-19-6-9-21(10-7-19)38-13-5-12-33-38/h5-13,15-17,39H,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50162972 (4-(Benzothiazol-6-ylamino)-6-(benzyl-isopropyl-ami...) Show SMILES CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1 Show InChI InChI=1S/C20H20N6OS/c1-13(2)26(11-14-6-4-3-5-7-14)19-23-18(24-20(27)25-19)22-15-8-9-16-17(10-15)28-12-21-16/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,25,27)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP				J Med Chem 48: 1717-20 (2005) Article DOI: 10.1021/jm049372z BindingDB Entry DOI: 10.7270/Q2GM86TF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451742 (CHEMBL4209998) Show SMILES Cn1cncc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H17Cl2FN4O/c1-32-14-29-13-20(32)25(33,17-9-10-30-21(28)12-17)16-7-8-19-18(11-16)23(26)22(24(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50433473 (CHEMBL2381070) Show SMILES Fc1cc(F)cc(OCCCCCNC(=O)SCc2nnc(o2)-c2ccccc2)c1 Show InChI InChI=1S/C21H21F2N3O3S/c22-16-11-17(23)13-18(12-16)28-10-6-2-5-9-24-21(27)30-14-19-25-26-20(29-19)15-7-3-1-4-8-15/h1,3-4,7-8,11-13H,2,5-6,9-10,14H2,(H,24,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Time dependent inhibition of human EL (19 to 500) expressed in HEK293 cells using PED-A1 as substrate by spectrophotometry				Bioorg Med Chem Lett 23: 2595-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.113 BindingDB Entry DOI: 10.7270/Q24T6KQV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220238 (US9290476, 83A | US9290476, 83B | US9290476, 83C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1ccccc1 Show InChI InChI=1S/C34H33ClN4O3/c1-23(40)38-19-15-26(16-20-38)34(41,25-7-4-3-5-8-25)27-11-14-31-29(22-27)32(35)30(33(37-31)42-2)21-24-9-12-28(13-10-24)39-18-6-17-36-39/h3-14,17-18,22,26,41H,15-16,19-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220238 (US9290476, 83A | US9290476, 83B | US9290476, 83C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1ccccc1 Show InChI InChI=1S/C34H33ClN4O3/c1-23(40)38-19-15-26(16-20-38)34(41,25-7-4-3-5-8-25)27-11-14-31-29(22-27)32(35)30(33(37-31)42-2)21-24-9-12-28(13-10-24)39-18-6-17-36-39/h3-14,17-18,22,26,41H,15-16,19-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM17750 (5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-...) Show SMILES CC1CCN(CC1)c1ccc(CO)cc1NC(=O)c1ccc(o1)C#N Show InChI InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) was incubated with compound in reaction buffer. Control reactions were run in each plate. ...				J Biol Chem 282: 4094-101 (2007) Article DOI: 10.1074/jbc.M608183200 BindingDB Entry DOI: 10.7270/Q2HT2MKC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239062 (CHEMBL4088364) Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50162976 (4-(Benzothiazol-6-ylamino)-6-(1-methyl-1-phenyl-et...) Show SMILES CC(C)(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1 Show InChI InChI=1S/C19H18N6OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(26)24-17)21-13-8-9-14-15(10-13)27-11-20-14/h3-11H,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP				J Med Chem 48: 1717-20 (2005) Article DOI: 10.1021/jm049372z BindingDB Entry DOI: 10.7270/Q2GM86TF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50162973 (CHEMBL177298 | N-[4-(Benzothiazol-6-ylamino)-6-(1-...) Show SMILES CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1 Show InChI InChI=1S/C19H19N7OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(24-17)26-27)21-13-8-9-14-15(10-13)28-11-20-14/h3-11,27H,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway 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	40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP				J Med Chem 48: 1717-20 (2005) Article DOI: 10.1021/jm049372z BindingDB Entry DOI: 10.7270/Q2GM86TF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50162973 (CHEMBL177298 | N-[4-(Benzothiazol-6-ylamino)-6-(1-...) Show SMILES CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1 Show InChI InChI=1S/C19H19N7OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(24-17)26-27)21-13-8-9-14-15(10-13)28-11-20-14/h3-11,27H,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway 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	40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP				J Med Chem 48: 1717-20 (2005) Article DOI: 10.1021/jm049372z BindingDB Entry DOI: 10.7270/Q2GM86TF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220250 (US9290476, 95) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220220 (US9290476, 63A | US9290476, 63B | US9290476, 63C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C#N)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H22Cl2N4O2/c1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3-12,14,16-17,36H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220217 (US9290476, 60A | US9290476, 60B | US9290476, 60C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1cncn1C Show InChI InChI=1S/C32H33ClN6O3/c1-21(40)38-15-11-23(12-16-38)32(41,29-19-34-20-37(29)2)24-7-10-28-26(18-24)30(33)27(31(36-28)42-3)17-22-5-8-25(9-6-22)39-14-4-13-35-39/h4-10,13-14,18-20,23,41H,11-12,15-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220217 (US9290476, 60A | US9290476, 60B | US9290476, 60C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1cncn1C Show InChI InChI=1S/C32H33ClN6O3/c1-21(40)38-15-11-23(12-16-38)32(41,29-19-34-20-37(29)2)24-7-10-28-26(18-24)30(33)27(31(36-28)42-3)17-22-5-8-25(9-6-22)39-14-4-13-35-39/h4-10,13-14,18-20,23,41H,11-12,15-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50162978 (4-(Benzothiazol-6-ylamino)-6-(benzyl-ethyl-amino)-...) Show SMILES CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1 Show InChI InChI=1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26)	PDB MMDB NCI pathway 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	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP				J Med Chem 48: 1717-20 (2005) Article DOI: 10.1021/jm049372z BindingDB Entry DOI: 10.7270/Q2GM86TF
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor [538-678,753-922] (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...				J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB 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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239073 (CHEMBL4097986) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3	PDB 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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239063 (CHEMBL4094197) Show SMILES Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,17-9-11-28-12-10-17)18-7-8-20-19(13-18)23(26)22(24(27)30-20)16-5-3-2-4-6-16/h2-15,32H,1H3	PDB 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220219 (US9290476, 62A | US9290476, 62B | US9290476, 62C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor [538-678,753-922] (Human Sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...				J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor [538-972] ()	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...				J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220192 (US9290476, 35A | US9290476, 35B | US9290476, 35C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220250 (US9290476, 95) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H22Cl2F3N3O2/c1-37-16-35-15-25(37)28(38,18-7-10-21(30)11-8-18)20-9-12-24-22(14-20)26(31)23(27(36-24)39-2)13-17-3-5-19(6-4-17)29(32,33)34/h3-12,14-16,38H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220190 (US9290476, 33A | US9290476, 33B | US9290476, 33C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220190 (US9290476, 33A | US9290476, 33B | US9290476, 33C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220190 (US9290476, 33A | US9290476, 33B | US9290476, 33C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451748 (CHEMBL4218386) Show SMILES Cn1cncc1C(O)(c1ccnc(c1)C(F)(F)F)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C26H17Cl2F3N4O/c1-35-14-32-13-21(35)25(36,17-9-10-33-20(12-17)26(29,30)31)16-7-8-19-18(11-16)23(27)22(24(28)34-19)15-5-3-2-4-6-15/h2-14,36H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220190 (US9290476, 33A | US9290476, 33B | US9290476, 33C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220192 (US9290476, 35A | US9290476, 35B | US9290476, 35C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Ovine brain) activity using biosynthetic assay [competitive in...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220192 (US9290476, 35A | US9290476, 35B | US9290476, 35C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220192 (US9290476, 35A | US9290476, 35B | US9290476, 35C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451806 (CHEMBL4209944) Show SMILES Cc1nc(C)c(s1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H20Cl2N4OS/c1-14-23(33-15(2)29-14)25(32,20-12-28-13-31(20)3)17-9-10-19-18(11-17)22(26)21(24(27)30-19)16-7-5-4-6-8-16/h4-13,32H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239064 (CHEMBL4073568) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(c2c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239058 (CHEMBL4100439) Show SMILES CN(C)c1c(c(Cl)nc2ccc(cc12)C(O)(c1cncn1C)c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)25-21-15-20(9-10-22(21)31-26(28)24(25)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239066 (CHEMBL4063937) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C27H18Cl2N4O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(13-19)26(29)25(23(14-30)32-22)17-5-3-2-4-6-17/h2-13,15-16,34H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239071 (CHEMBL4101932) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(Cl)c2c1)C(F)(F)F Show InChI InChI=1S/C27H18Cl2F3N3O/c1-35-15-33-14-22(35)26(36,17-7-10-19(28)11-8-17)18-9-12-21-20(13-18)24(29)23(16-5-3-2-4-6-16)25(34-21)27(30,31)32/h2-15,36H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220219 (US9290476, 62A | US9290476, 62B | US9290476, 62C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451747 (CHEMBL4205629) Show SMILES OC(c1ccccc1)(c1cccnc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C27H18Cl2N2O/c28-25-22-16-20(13-14-23(22)31-26(29)24(25)18-8-3-1-4-9-18)27(32,19-10-5-2-6-11-19)21-12-7-15-30-17-21/h1-17,32H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451745 (CHEMBL4214388) Show SMILES Cn1cncc1C(O)(c1cccnc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C25H18Cl2N4O/c1-31-15-29-14-21(31)25(32,18-8-5-11-28-13-18)17-9-10-20-19(12-17)23(26)22(24(27)30-20)16-6-3-2-4-7-16/h2-15,32H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220220 (US9290476, 63A | US9290476, 63B | US9290476, 63C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C#N)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H22Cl2N4O2/c1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3-12,14,16-17,36H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair

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