BDBM220221 US9290476, 64A::US9290476, 64B::US9290476, 64C

SMILES: COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cncn1)C(O)(c1cncn1C)c1ccc(Cl)cc1

InChI Key: InChIKey=BCPPJFGMAGRVIG-UHFFFAOYSA-N

Data: 3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 220221   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220221 (US9290476, 64A | US9290476, 64B | US9290476, 64C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cncn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H24Cl2N6O2/c1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38/h3-12,14-18,39H,13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	63	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220221 (US9290476, 64A | US9290476, 64B | US9290476, 64C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cncn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H24Cl2N6O2/c1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38/h3-12,14-18,39H,13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	16	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220221 (US9290476, 64A | US9290476, 64B | US9290476, 64C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cncn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H24Cl2N6O2/c1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38/h3-12,14-18,39H,13H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	450	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair