BDBM50354981 CHEMBL1836945

SMILES: Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1Cl

InChI Key: InChIKey=DLFAZYMHUGUADW-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50354981   

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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50354981 (CHEMBL1836945) Show SMILES Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1Cl |(10.94,-43.27,;9.4,-43.27,;8.49,-42.02,;7.02,-42.5,;5.68,-41.73,;5.68,-40.19,;4.34,-39.43,;4.34,-37.89,;5.1,-36.57,;3.56,-36.56,;3.01,-40.2,;1.47,-40.21,;2.24,-41.54,;4.35,-42.51,;4.35,-44.05,;3.02,-44.82,;5.69,-44.82,;7.02,-44.05,;8.49,-44.53,;9.28,-45.85,;8.53,-47.19,;9.32,-48.51,;10.86,-48.49,;11.66,-49.8,;10.91,-51.15,;11.7,-52.47,;9.37,-51.18,;11.61,-47.13,;10.82,-45.82,;11.56,-44.47,)| Show InChI InChI=1S/C21H22ClF2N5O/c1-10-25-19(28-17(12-3-4-12)13-5-6-13)18-20(26-10)29(11(2)27-18)16-8-7-14(9-15(16)22)30-21(23)24/h7-9,12-13,17,21H,3-6H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formation				Bioorg Med Chem Lett 21: 6108-11 (2011) Article DOI: 10.1016/j.bmcl.2011.08.040 BindingDB Entry DOI: 10.7270/Q2F19046
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50354981 (CHEMBL1836945) Show SMILES Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1Cl |(10.94,-43.27,;9.4,-43.27,;8.49,-42.02,;7.02,-42.5,;5.68,-41.73,;5.68,-40.19,;4.34,-39.43,;4.34,-37.89,;5.1,-36.57,;3.56,-36.56,;3.01,-40.2,;1.47,-40.21,;2.24,-41.54,;4.35,-42.51,;4.35,-44.05,;3.02,-44.82,;5.69,-44.82,;7.02,-44.05,;8.49,-44.53,;9.28,-45.85,;8.53,-47.19,;9.32,-48.51,;10.86,-48.49,;11.66,-49.8,;10.91,-51.15,;11.7,-52.47,;9.37,-51.18,;11.61,-47.13,;10.82,-45.82,;11.56,-44.47,)| Show InChI InChI=1S/C21H22ClF2N5O/c1-10-25-19(28-17(12-3-4-12)13-5-6-13)18-20(26-10)29(11(2)27-18)16-8-7-14(9-15(16)22)30-21(23)24/h7-9,12-13,17,21H,3-6H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.373	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human CRF1 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 6108-11 (2011) Article DOI: 10.1016/j.bmcl.2011.08.040 BindingDB Entry DOI: 10.7270/Q2F19046
					More data for this Ligand-Target Pair