BDBM50338736 (+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl cyclohexylcarbamate::CHEMBL1684344

SMILES: C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12

InChI Key: InChIKey=BQZKKRYIQPCEKF-HWRSSNJWSA-N

Data: 3 KI  2 IC50  2 EC50

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 7 hits for monomerid = 50338736   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from GR				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Transrepression activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin...				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	435	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at GR expressed in rat H4IIEC3 cells assessed as induction of PEPCK transactivation by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338736 ((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...) Show SMILES C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)| Show InChI InChI=1S/C27H30ClF2N3O2/c1-14-21-20(33-27(2,3)25(14)35-26(34)32-15-8-5-4-6-9-15)12-19(29)22(23(21)30)17-11-7-10-16-18(28)13-31-24(16)17/h7,10-15,25,31,33H,4-6,8-9H2,1-3H3,(H,32,34)/t14-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Transrepression activity at GR expressed in NHDF cells assessed as IL-1beta-mediated IL-6 transcription by ELISA				Bioorg Med Chem Lett 21: 1658-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4
					More data for this Ligand-Target Pair