Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'correll' and Initial = 'cc'   

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))	BDBM329724 ((3S,4R)-1-(1-(2-chloro-6-cyclopropylbenzoyl)-4-flu...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 Show InChI InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329726 ((3S,4R)-1-(1-(2- chloro-6- (trifluoromethyl)benzoy...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C21H16ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-6-2-5-13(23)17(14)18(27-29)28-8-7-10(20(32)33)15(30)9-28/h1-6,10,15,30H,7-9H2,(H,32,33)/t10-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106301 (CHEMBL3598140) Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509558 (CHEMBL4449356) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1 Show InChI InChI=1S/C22H10ClF5N2O3/c23-13-4-1-3-12(22(26,27)28)17(13)20(31)30-16-6-2-5-14(24)18(16)19(29-30)11-8-7-10(21(32)33)9-15(11)25/h1-9H,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044164 (CHEMBL3314007) Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-9,30H,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509564 (CHEMBL4584679) Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-4-1-3-13(22(25,26)27)17(14)20(30)29-16-6-2-5-15(24)18(16)19(28-29)11-7-9-12(10-8-11)21(31)32/h1-10H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322938 (2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1 Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322938 (2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1 Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM256339 (US9487490, 1C) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:6| Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-4-1-3-13(22(25,26)27)17(14)20(30)29-16-6-2-5-15(24)18(16)19(28-29)11-7-9-12(10-8-11)21(31)32/h1-7,12H,8-10H2,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50203542 (CHEMBL3218921) Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509565 (CHEMBL3558130) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1 Show InChI InChI=1S/C21H10ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-5-2-8-27-18(15)17(28-29)11-7-6-10(20(31)32)9-14(11)23/h1-9H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509560 (CHEMBL4456513) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cnccc23)c(F)c1 Show InChI InChI=1S/C21H10ClF4N3O3/c22-14-3-1-2-13(21(24,25)26)17(14)19(30)29-16-9-27-7-6-12(16)18(28-29)11-5-4-10(20(31)32)8-15(11)23/h1-9H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329702 (1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-4-fluo...) Show SMILES OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C21H16ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-6-2-5-14(23)17(15)18(27-29)28-9-7-11(8-10-28)20(31)32/h1-6,11H,7-10H2,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255472 ((S)-1-oxo-3-phenyl-2-(pyridin-2-yl)-N-(4-(trifluor...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccn2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509553 (CHEMBL4538881) Show SMILES OC(=O)c1ccc(-c2cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-4-1-3-14(22(25,26)27)18(15)20(30)29-10-13(19-17(29)5-2-8-28-19)12-7-6-11(21(31)32)9-16(12)24/h1-10H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255380 ((S)-N-(4-tert-butylphenyl)-1-oxo-2,3-diphenyl-2,7-...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H33N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-17,26H,18-21H2,1-3H3,(H,31,35)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 (unknown origin) expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509559 (CHEMBL4576053) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(Cl)c1 Show InChI InChI=1S/C22H10Cl2F4N2O3/c23-13-4-1-3-12(22(26,27)28)17(13)20(31)30-16-6-2-5-15(25)18(16)19(29-30)11-8-7-10(21(32)33)9-14(11)24/h1-9H,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255380 ((S)-N-(4-tert-butylphenyl)-1-oxo-2,3-diphenyl-2,7-...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H33N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-17,26H,18-21H2,1-3H3,(H,31,35)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509555 (CHEMBL4471823) Show SMILES OC(=O)c1ccc(cc1F)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H10ClF5N2O3/c23-13-4-1-3-12(22(26,27)28)17(13)20(31)30-16-6-2-5-14(24)18(16)19(29-30)10-7-8-11(21(32)33)15(25)9-10/h1-9H,(H,32,33)	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
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329724 ((3S,4R)-1-(1-(2-chloro-6-cyclopropylbenzoyl)-4-flu...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 Show InChI InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of RORgammaT in IL-1B/IL-23/IL-2/IL-6/T-Activator CD3/28 Dynabeads-stimulated human PBMC cells assessed as reduction in Th17 di...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255472 ((S)-1-oxo-3-phenyl-2-(pyridin-2-yl)-N-(4-(trifluor...) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccn2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 (unknown origin) expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322940 (2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3...) Show SMILES Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044164 (CHEMBL3314007) Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-9,30H,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322940 (2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3...) Show SMILES Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322943 (2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)c1 Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-20(12-16)32-22(21-6-1-2-9-29-21)25(23(32)33)7-10-31(11-8-25)24(34)30-19-14-17(27)13-18(28)15-19/h1-6,9,12-15,22H,7-8,10-11H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322943 (2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)c1 Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-20(12-16)32-22(21-6-1-2-9-29-21)25(23(32)33)7-10-31(11-8-25)24(34)30-19-14-17(27)13-18(28)15-19/h1-6,9,12-15,22H,7-8,10-11H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509561 (CHEMBL4476096) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cncnc23)c(F)c1 Show InChI InChI=1S/C20H9ClF4N4O3/c21-12-3-1-2-11(20(23,24)25)15(12)18(30)29-14-7-26-8-27-17(14)16(28-29)10-5-4-9(19(31)32)6-13(10)22/h1-8H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322950 (2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...) Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322950 (2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...) Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255382 ((S)-N-((1r,4S)-4-tert-butylcyclohexyl)-1-oxo-2,3-d...) Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)N1CCC2(CC1)[C@@H](N(C2=O)c1ccccc1)c1ccccc1 |r,wU:4.3,19.32,wD:7.10,(30.29,-16.11,;28.97,-15.34,;28.2,-16.68,;29.75,-14.01,;27.63,-14.57,;26.3,-15.34,;24.97,-14.57,;24.97,-13.03,;26.3,-12.26,;27.63,-13.03,;23.64,-12.26,;22.31,-13.03,;22.31,-14.57,;20.97,-12.26,;19.65,-13.02,;18.32,-12.26,;18.31,-10.71,;19.65,-9.94,;20.97,-10.72,;17.54,-9.38,;16.2,-10.15,;16.98,-11.49,;16.58,-12.98,;14.71,-9.77,;14.31,-8.28,;12.83,-7.88,;11.74,-8.98,;12.15,-10.47,;13.63,-10.86,;17.93,-7.89,;19.42,-7.49,;19.81,-6,;18.72,-4.92,;17.23,-5.33,;16.84,-6.81,)| Show InChI InChI=1S/C30H39N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-13,23-24,26H,14-21H2,1-3H3,(H,31,35)/t23-,24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509565 (CHEMBL3558130) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1 Show InChI InChI=1S/C21H10ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-5-2-8-27-18(15)17(28-29)11-7-6-10(20(31)32)9-14(11)23/h1-9H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of RORgammaT in IL-1B/IL-23/IL-2/IL-6/T-Activator CD3/28 Dynabeads-stimulated human PBMC cells assessed as reduction in Th17 di...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509558 (CHEMBL4449356) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1 Show InChI InChI=1S/C22H10ClF5N2O3/c23-13-4-1-3-12(22(26,27)28)17(13)20(31)30-16-6-2-5-14(24)18(16)19(29-30)11-8-7-10(21(32)33)9-15(11)25/h1-9H,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322948 ((2S,3S)-2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3...) Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC#N |r| Show InChI InChI=1S/C27H28ClFN4O4/c1-3-17(2)22(24(34)37-16-30)31-26(36)32-13-11-27(12-14-32)23(18-7-9-19(28)10-8-18)33(25(27)35)21-6-4-5-20(29)15-21/h4-10,15,17,22-23H,3,11-14H2,1-2H3,(H,31,36)/t17-,22-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509562 (CHEMBL4542808) Show SMILES O[C@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |r| Show InChI InChI=1S/C21H16ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-6-2-5-13(23)17(14)18(27-29)28-8-7-10(20(32)33)15(30)9-28/h1-6,10,15,30H,7-9H2,(H,32,33)/t10-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322939 (2-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)...) Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)cc1F Show InChI InChI=1S/C25H20ClF3N4O2/c26-17-14-16(5-7-18(17)27)33-22(21-3-1-2-10-30-21)25(23(33)34)8-11-32(12-9-25)24(35)31-15-4-6-19(28)20(29)13-15/h1-7,10,13-14,22H,8-9,11-12H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322939 (2-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)...) Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)cc1F Show InChI InChI=1S/C25H20ClF3N4O2/c26-17-14-16(5-7-18(17)27)33-22(21-3-1-2-10-30-21)25(23(33)34)8-11-32(12-9-25)24(35)31-15-4-6-19(28)20(29)13-15/h1-7,10,13-14,22H,8-9,11-12H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322937 (2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1 Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by whole cell path clamp method				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322938 (2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...) Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1 Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by whole cell path clamp method				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255521 ((S)-N-(4-isopropylphenyl)-1-oxo-2,3-diphenyl-2,7-d...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322967 (2-(3-chlorophenyl)-7-(5-fluoro-6-(trifluoromethyl)...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)N1CCC2(CC1)C(N(C2=O)c1cccc(Cl)c1)c1ccccn1 Show InChI InChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322947 ((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...) Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC |r| Show InChI InChI=1S/C27H31ClFN3O4/c1-4-17(2)22(24(33)36-3)30-26(35)31-14-12-27(13-15-31)23(18-8-10-19(28)11-9-18)32(25(27)34)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,35)/t17-,22-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322961 ((2S,3S)-isopropyl 2-(1-(4-chlorophenyl)-2-(3-fluor...) Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC(C)C |r| Show InChI InChI=1S/C29H35ClFN3O4/c1-5-19(4)24(26(35)38-18(2)3)32-28(37)33-15-13-29(14-16-33)25(20-9-11-21(30)12-10-20)34(27(29)36)23-8-6-7-22(31)17-23/h6-12,17-19,24-25H,5,13-16H2,1-4H3,(H,32,37)/t19-,24-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322947 ((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...) Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC |r| Show InChI InChI=1S/C27H31ClFN3O4/c1-4-17(2)22(24(33)36-3)30-26(35)31-14-12-27(13-15-31)23(18-8-10-19(28)11-9-18)32(25(27)34)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,35)/t17-,22-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50509563 (CHEMBL4533445) Show SMILES CC(C)Oc1cccc(Cl)c1C(=O)n1nc(-c2ccc(cc2)C(O)=O)c2ccccc12 Show InChI InChI=1S/C24H19ClN2O4/c1-14(2)31-20-9-5-7-18(25)21(20)23(28)27-19-8-4-3-6-17(19)22(26-27)15-10-12-16(13-11-15)24(29)30/h3-14H,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329724 ((3S,4R)-1-(1-(2-chloro-6-cyclopropylbenzoyl)-4-flu...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 Show InChI InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50255382 ((S)-N-((1r,4S)-4-tert-butylcyclohexyl)-1-oxo-2,3-d...) Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)N1CCC2(CC1)[C@@H](N(C2=O)c1ccccc1)c1ccccc1 |r,wU:4.3,19.32,wD:7.10,(30.29,-16.11,;28.97,-15.34,;28.2,-16.68,;29.75,-14.01,;27.63,-14.57,;26.3,-15.34,;24.97,-14.57,;24.97,-13.03,;26.3,-12.26,;27.63,-13.03,;23.64,-12.26,;22.31,-13.03,;22.31,-14.57,;20.97,-12.26,;19.65,-13.02,;18.32,-12.26,;18.31,-10.71,;19.65,-9.94,;20.97,-10.72,;17.54,-9.38,;16.2,-10.15,;16.98,-11.49,;16.58,-12.98,;14.71,-9.77,;14.31,-8.28,;12.83,-7.88,;11.74,-8.98,;12.15,-10.47,;13.63,-10.86,;17.93,-7.89,;19.42,-7.49,;19.81,-6,;18.72,-4.92,;17.23,-5.33,;16.84,-6.81,)| Show InChI InChI=1S/C30H39N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-13,23-24,26H,14-21H2,1-3H3,(H,31,35)/t23-,24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 (unknown origin) expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay				Bioorg Med Chem Lett 19: 783-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329725 ((3R,4S)-1-(1-(2- chloro-6- (trifluoromethyl)benzoy...) Show SMILES O[C@H]1CN(CC[C@@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C21H16ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-6-2-5-13(23)17(14)18(27-29)28-8-7-10(20(32)33)15(30)9-28/h1-6,10,15,30H,7-9H2,(H,32,33)/t10-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM329726 ((3S,4R)-1-(1-(2- chloro-6- (trifluoromethyl)benzoy...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C21H16ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-6-2-5-13(23)17(14)18(27-29)28-8-7-10(20(32)33)15(30)9-28/h1-6,10,15,30H,7-9H2,(H,32,33)/t10-,15-/m1/s1	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
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431 BindingDB Entry DOI: 10.7270/Q24Q7Z9C
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322942 (2-(3-chlorophenyl)-N-(3-cyanophenyl)-1-oxo-3-(pyri...) Show SMILES Clc1cccc(c1)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C#N)C1=O Show InChI InChI=1S/C26H22ClN5O2/c27-19-6-4-8-21(16-19)32-23(22-9-1-2-12-29-22)26(24(32)33)10-13-31(14-11-26)25(34)30-20-7-3-5-18(15-20)17-28/h1-9,12,15-16,23H,10-11,13-14H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50322942 (2-(3-chlorophenyl)-N-(3-cyanophenyl)-1-oxo-3-(pyri...) Show SMILES Clc1cccc(c1)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C#N)C1=O Show InChI InChI=1S/C26H22ClN5O2/c27-19-6-4-8-21(16-19)32-23(22-9-1-2-12-29-22)26(24(32)33)10-13-31(14-11-26)25(34)30-20-7-3-5-18(15-20)17-28/h1-9,12,15-16,23H,10-11,13-14H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay				Bioorg Med Chem Lett 20: 4602-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.012 BindingDB Entry DOI: 10.7270/Q2NS0V34
					More data for this Ligand-Target Pair

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