BDBM50004351 CHEMBL3233061

SMILES: Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12

InChI Key: InChIKey=IOHYMAVRQPXNQM-UHFFFAOYSA-N

Data: 4 KI  3 IC50

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 = 50004351   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	652	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of recombinant Abl kinase (unknown origin) expressed in Sf9 cells using GGEAIYAAPFKK as substrate in presence of [gamma33P]ATP				Eur J Med Chem 78: 217-24 (2014) Article DOI: 10.1016/j.ejmech.2014.03.054 BindingDB Entry DOI: 10.7270/Q29G5PBW
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of [gamma33P]ATP				Eur J Med Chem 78: 217-24 (2014) Article DOI: 10.1016/j.ejmech.2014.03.054 BindingDB Entry DOI: 10.7270/Q29G5PBW
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of CK2alpha1 (unknown origin) using casein as substrate in presence of [gamma33P]ATP				Eur J Med Chem 78: 217-24 (2014) Article DOI: 10.1016/j.ejmech.2014.03.054 BindingDB Entry DOI: 10.7270/Q29G5PBW
					More data for this Ligand-Target Pair