Compile Data Set for Download or QSAR

Found 2885 hits with Last Name = 'christensen' and Initial = 'jg'   

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
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601067 (CHEMBL5208088 | US11702418, Example 6-4) Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601075 (CHEMBL5202472 | US11702418, Example 6-9) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601069 (CHEMBL5191446 | US11702418, Example 6-7) Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCN(C)C(=O)C1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601065 (CHEMBL5206295 | US11702418, Example 4-4) Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nnc(C)c2cc(OC)c(OC)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601076 (CHEMBL5209371 | US11702418, Example 6-12) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601072 (CHEMBL5176365 | US11702418, Example 9-2) Show SMILES C[C@@H](Nc1nnc(N(C)C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601083 (CHEMBL5193021) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(Br)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601084 (CHEMBL5192659 | US11702418, Example 12-10) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601066 (CHEMBL5179610 | US11702418, Example 10-45) Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N(C)C)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601085 (CHEMBL5198950 | US11702418, Example 6-19) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601091 (CHEMBL5171096 | US11702418, Example 4-1) Show SMILES COc1cc2c(C)nnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601077 (CHEMBL5176509 | US11702418, Example 12-50) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601068 (CHEMBL5176696) Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)C1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601064 (CHEMBL5174300 | US11702418, Example 1-14) Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nncc2cc(OC)c(OC)cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601086 (CHEMBL5186883 | US11702418, Example 6-16) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601073 (CHEMBL5193110) Show SMILES C[C@@H](Nc1n[nH]c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601063 (CHEMBL5202863 | US11702418, Example 1-13) Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601089 (CHEMBL5198132) Show SMILES C[C@@H](Nc1nnc(C)c2cc(C#N)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601079 (CHEMBL5191745 | US11702418, Example 16-3) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cc(N)cc(n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601087 (CHEMBL5187475) Show SMILES C[C@@H](Nc1nnc(C)c2cc(F)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601088 (CHEMBL5182064) Show SMILES C[C@@H](Nc1nnc(C)c2cc(Cl)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601074 (CHEMBL5198767) Show SMILES C[C@@H](Nc1nn(C)c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601078 (CHEMBL5203468) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601080 (CHEMBL5207802 | US11702418, Example 12-41) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccnc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601061 (CHEMBL5169564) Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3)C(F)(F)F)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601082 (CHEMBL5190699) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cn(C)nc1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601070 (CHEMBL5183207) Show SMILES C[C@@H](Nc1nnc(c2ccc(cc12)N1CCNCC1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601060 (CHEMBL5200949) Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601090 (CHEMBL5185048 | US11702418, Example 19-2) Show SMILES C[C@@H](Nc1nnc(C)c2cc(c(cc12)N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601071 (CHEMBL5199603) Show SMILES COc1nnc(N[C@H](C)c2cccc(c2C)C(F)(F)F)c2cc(ccc12)N1CCNCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601059 (CHEMBL5200875) Show SMILES COc1cc2cnnc(N[C@H](C)c3ccccc3)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601081 (CHEMBL5195217) Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cn(C)nc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50601062 (CHEMBL5183547) Show SMILES COc1cc2cnnc(N[C@H](C)c3ccccc3C)c2cc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00741 BindingDB Entry DOI: 10.7270/Q2XD15Q0
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50539763 (Adagrasib | Mrtx-849 | Mrtx849) Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12 Show InChI InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysis				J Med Chem 63: 6679-6693 (2020) Article DOI: 10.1021/acs.jmedchem.9b02052 BindingDB Entry DOI: 10.7270/Q2G164C5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KRAS G12C mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01688 BindingDB Entry DOI: 10.7270/Q2TM7G15
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617349 (US20230279025, Example 465) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617355 (US20230279025, Example 468) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5C[C@@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579601 (CHEMBL4858364 | US11453683, Example 252 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617323 (US20230279025, Example 452 | US20230279025, Exampl...) Show SMILES C[C@@H]1CC1c1c(Cl)cc(O)cc1-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617363 (US20230279025, Example 482) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45CCCN4C[C@@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617357 (US20230279025, Example 469) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45C[C@@H](F)CN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573400 (US11453683, Example 259 | US20230279025, Example 4...) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617351 (US20230279025, Example 466) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@]56C[C@@H](O)CN5C[C@@H](O)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617347 (US20230279025, Example 464) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617345 (US20230279025, Example 463) Show SMILES Oc1cc(-c2ncc3c(nc(OCC4CCCN5CCCC45)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617339 (US20230279025, Example 460) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM616938 (US20230279025, Example 26 | US20230279025, Example...) Show SMILES Oc1cc(-c2ncc3c(nc(OCCN4C[C@@H]5C[C@H]4CO5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573426 (US11453683, Example 284 | US20230279025, Example 2...) Show SMILES Oc1cc(Cl)c(c(c1)-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573426 (US11453683, Example 284 | US20230279025, Example 2...) Show SMILES Oc1cc(Cl)c(c(c1)-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579600 (CHEMBL4857438 | US11453683, Example 251 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair

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